Geometry & MOs

Info

ID:	83277
PubChem CID:	49857389
Reduced:	OF2N6C29H30 (1)
Stoich.:	AB2C6D29E30 (1)
Weight, g/mol:	628.22213
ΔH_f, kcal/mol:	3.37
Dipole, Da:	4.44
IP(EA), eV:	-9.17(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[[2-(5-cyanopyridin-3-yl)-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyridin-2-yl]-1-(3,4-difluorophenyl)ethyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)N[C@](C)(C1=CC(=C(C=C1)F)F)C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)C(=O)N[C@](C)(C1=CC(=C(C=C1)F)F)C2=NC=C(C=C2)CN3CC4(C3)CN(C4)C5=CN=CC(=C5)C#N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):