Geometry & MOs

Info

ID:	426481
PubChem CID:	135144421
Reduced:	N2C11H14 (2)
Stoich.:	A2B11C14 (2)
Weight, g/mol:	403.273596
ΔH_f, kcal/mol:	52.86
Dipole, Da:	6.95
IP(EA), eV:	-8.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-ethylphenyl)piperazin-1-yl]methyl]-4-(4-methylpiperazin-1-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC2=C(C=CC(=C2)NCCN3CCCCC3)C#N

DOS

IR

Vibrations