Geometry & MOs

Info

ID:	236597
PubChem CID:	92714192
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	6.76
Dipole, Da:	1.93
IP(EA), eV:	-8.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC

DOS

IR

Vibrations