Geometry & MOs

Info

ID:	449286
PubChem CID:	135297398
Reduced:	OF2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	493.228932
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	3.84
IP(EA), eV:	-8.93(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1S,8R)-5-(2,6-difluorophenyl)-9,11-dimethyl-3,4-diazatricyclo[6.3.2.02,7]trideca-2,4,6-trien-1-yl]-N-[(2R)-2-hydroxypropyl]pyrazine-2-carboxamide

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

CC1C2=CC(=NN=C2[C@](C1(C)C)(C)/C=C/C(=O)/C=C\N)C3=C(C=CC=C3F)F

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

CC1C2=CC(=NN=C2[C@](C1(C)C)(C)/C=C/C(=O)/C=C\N)C3=C(C=CC=C3F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):