Geometry & MOs

Info

ID:	236720
PubChem CID:	92714558
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	393.04767
ΔH_f, kcal/mol:	41.75
Dipole, Da:	4.33
IP(EA), eV:	-8.51(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-bromo-3-methylanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4)Cl

DOS

IR

Vibrations