Geometry & MOs

Info

ID:	236716
PubChem CID:	92714548
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	3.14
IP(EA), eV:	-8.33(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-phenyl-7-(3,4,5-trimethoxyanilino)-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