Geometry & MOs

Info

ID:	174715
PubChem CID:	75806490
Reduced:	NO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	391.129397
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	3.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.101426
Charge, e:	-1

Chem-info

IUPAC name:

1,7-bis(3-methoxyphenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2(C1)C(C3=CC=CC=C3C(=O)N2CC4=CC=CO4)C(=O)[O-]

DOS

IR

Vibrations