Geometry & MOs

Info

ID:	236535
PubChem CID:	92713820
Reduced:	Cl2O2N3H15C20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-3.48
Dipole, Da:	3.44
IP(EA), eV:	-8.84(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations