Geometry & MOs

Info

ID:	236533
PubChem CID:	92713815
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	425.114234
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	3.49
IP(EA), eV:	-8.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)N[C@@H]2C3=C(C=CC=N3)C(=O)N2C4=CC(=CC=C4)OC

DOS

IR

Vibrations