Geometry & MOs

Info

ID:	426489
PubChem CID:	135144429
Reduced:	ClN4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	418.284495
ΔH_f, kcal/mol:	61.24
Dipole, Da:	6.71
IP(EA), eV:	-8.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(CN(C)C)C1=CC(=C(C=C1)C#N)CN2CCC(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations