Geometry & MOs

Info

ID:	236541
PubChem CID:	92713861
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	339.077454
ΔH_f, kcal/mol:	-18.46
Dipole, Da:	3.25
IP(EA), eV:	-8.45(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations