Geometry & MOs

Info

ID:	236537
PubChem CID:	92713827
Reduced:	ClO2N3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	4.17
IP(EA), eV:	-8.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations