Geometry & MOs

Info

ID:	441346
PubChem CID:	135234243
Reduced:	OF2N6H16C19 (1)
Stoich.:	AB2C6D16E19 (1)
Weight, g/mol:	396.151016
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	3.58
IP(EA), eV:	-8.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-6-pyridin-3-ylpyridin-2-yl)-6-(2,2-difluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1C2=CC(=NC=C2CN1C(=O)NC3=C(C=CC(=N3)C4=CN=CC=C4)N)C(F)F

DOS

IR

Vibrations