Geometry & MOs

Info

ID:	236524
PubChem CID:	92713793
Reduced:	FON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	378.112819
ΔH_f, kcal/mol:	-4.78
Dipole, Da:	2.68
IP(EA), eV:	-8.68(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations