Geometry & MOs

Info

ID:	441345
PubChem CID:	135234242
Reduced:	OSN6C18H18 (1)
Stoich.:	ABC6D18E18 (1)
Weight, g/mol:	382.135365
ΔH_f, kcal/mol:	59.28
Dipole, Da:	0.71
IP(EA), eV:	-8.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC=C2CN(CC2=N1)C(=O)NC3=C(C=CC(=N3)C4=CC=CS4)N

DOS

IR

Vibrations