Geometry & MOs

Info

ID:	162482
PubChem CID:	57394811
Reduced:	NO2H15C18 (1)
Stoich.:	AB2C15D18 (1)
Weight, g/mol:	538.236876
ΔH_f, kcal/mol:	-12.56
Dipole, Da:	7.68
IP(EA), eV:	-8.27(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyanophenyl)-N-[(2-phenylphenyl)methyl]-N-(4-piperazin-1-ylphenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O

DOS

IR

Vibrations