Geometry & MOs

Info

ID:	161315
PubChem CID:	57391320
Reduced:	ON2H11C13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	563.232125
ΔH_f, kcal/mol:	45.23
Dipole, Da:	10.18
IP(EA), eV:	-8.79(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=CC=C2C3=CC=C(C=C3)C4=C(C(=O)C5=C(N4)C=CN=C5)C#N

DOS

IR

Vibrations