Geometry & MOs

Info

ID:	236717
PubChem CID:	92714549
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	349.09819
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	4.07
IP(EA), eV:	-8.38(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations