Geometry & MOs

Info

ID:	236540
PubChem CID:	92713835
Reduced:	O2N3H21C22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	4.28
IP(EA), eV:	-8.54(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-(furan-2-ylmethyl)-7-(3-methoxyanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations