Geometry & MOs

Info

ID:	236542
PubChem CID:	92713867
Reduced:	ClO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	399.098584
ΔH_f, kcal/mol:	13.37
Dipole, Da:	2.36
IP(EA), eV:	-8.78(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations