Geometry & MOs

Info

ID:	236596
PubChem CID:	92714190
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	359.163377
ΔH_f, kcal/mol:	4.27
Dipole, Da:	3.63
IP(EA), eV:	-8.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations