Geometry & MOs

Info

ID:	426494
PubChem CID:	135144442
Reduced:	N5C29H39 (1)
Stoich.:	A5B29C39 (1)
Weight, g/mol:	386.223725
ΔH_f, kcal/mol:	61.91
Dipole, Da:	6.5
IP(EA), eV:	-7.97(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-N',N'-dimethylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2)C#N)CN3CCN(CC3)C4=CC=C(C=C4)C5CCCCC5

DOS

IR

Vibrations