Geometry & MOs

Info

ID:	15135
PubChem CID:	430509
Reduced:	ClN3C16H26 (1)
Stoich.:	AB3C16D26 (1)
Weight, g/mol:	295.181526
ΔH_f, kcal/mol:	0.03
Dipole, Da:	4.75
IP(EA), eV:	-8.31(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-chlorophenyl)piperazin-1-yl]hexan-1-amine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCCCN)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations