Geometry & MOs

Info

ID:	324210
PubChem CID:	126677146
Reduced:	NO2C18H19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	402.160437
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	4.5
IP(EA), eV:	-9.34(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-2-[5-oxo-4-(3-piperidin-1-ylpyrazol-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(=O)N1CC(C2=C(C1)C=CC(=C2)CO)C3=CC=CC=C3

DOS

IR

Vibrations