Geometry & MOs

Info

ID:	161931
PubChem CID:	57393100
Reduced:	ON5H11C18 (1)
Stoich.:	AB5C11D18 (1)
Weight, g/mol:	552.252526
ΔH_f, kcal/mol:	107.08
Dipole, Da:	9.07
IP(EA), eV:	-9.63(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CNN=C2)C3=C(C(=O)C4=C(N3)C=CN=C4)C#N

DOS

IR

Vibrations