Geometry & MOs

Info

ID:	426493
PubChem CID:	135144436
Reduced:	ON4C21H26 (1)
Stoich.:	AB4C21D26 (1)
Weight, g/mol:	457.320546
ΔH_f, kcal/mol:	44.78
Dipole, Da:	6.53
IP(EA), eV:	-8.0(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C#N)CN(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations