Geometry & MOs

Info

ID:	236692
PubChem CID:	92714447
Reduced:	ClO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	34.45
Dipole, Da:	6.97
IP(EA), eV:	-9.03(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(3,4-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=C(C=C(C=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations