Geometry & MOs

Info

ID:	236521
PubChem CID:	92713789
Reduced:	FON3H20C22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	369.108897
ΔH_f, kcal/mol:	-8.65
Dipole, Da:	3.93
IP(EA), eV:	-8.96(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,5-difluoroanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations