Geometry & MOs

Info

ID:	319165
PubChem CID:	126655238
Reduced:	F2O2N5H19C21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	431.136923
ΔH_f, kcal/mol:	-87.18
Dipole, Da:	6.35
IP(EA), eV:	-8.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluorophenyl)-4-[4-(4,4-difluoropiperidin-1-yl)imidazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1CN(CCC1O)C2=CN(C=N2)C3=CC(=NC4=C3C(=O)NC4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations