Geometry & MOs

Info

ID:	299715
PubChem CID:	117688807
Reduced:	OF2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	466.174037
ΔH_f, kcal/mol:	-62.29
Dipole, Da:	2.42
IP(EA), eV:	-9.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(5,5-difluoro-2-azabicyclo[2.2.1]heptan-2-yl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine

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

C1CC(C1)C2=NC(=CC(=N2)N3CCC3)C4=CC(=C(N=C4)N)OC(F)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

C1CC(C1)C2=NC(=CC(=N2)N3CCC3)C4=CC(=C(N=C4)N)OC(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):