Geometry & MOs

Info

ID:	236710
PubChem CID:	92714526
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	3.76
IP(EA), eV:	-8.48(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2,5-diethoxyanilino)-6-phenyl-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

DOS

IR

Vibrations