Geometry & MOs

Info

ID:	441349
PubChem CID:	135234248
Reduced:	OSF2N7C17H17 (1)
Stoich.:	ABC2D7E17F17 (1)
Weight, g/mol:	366.160437
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	4.5
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-6-(4-fluorophenyl)pyridin-2-yl]-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C2=NC(=C(C=C2)N)NC(=O)N3CC4=CN(N=C4C3)CC(F)F

DOS

IR

Vibrations