Geometry & MOs

Info

ID:	236544
PubChem CID:	92713869
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	353.093104
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	5.76
IP(EA), eV:	-8.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-chloro-2-methylanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4)Cl)OC

DOS

IR

Vibrations