Geometry & MOs

Info

ID:	193014
PubChem CID:	78337140
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-20.94
Dipole, Da:	19.63
IP(EA), eV:	-8.26(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazolidin-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1C[NH+](CN1)CCCN2C(C(=C(C2=O)[O-])C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5

DOS

IR

Vibrations