Geometry & MOs

Info

ID:	236708
PubChem CID:	92714523
Reduced:	BrON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	409.119319
ΔH_f, kcal/mol:	51.38
Dipole, Da:	2.29
IP(EA), eV:	-8.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2-chloro-4,6-dimethoxyanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations