Geometry & MOs

Info

ID:	247252
PubChem CID:	103069183
Reduced:	ClN3C17H26 (1)
Stoich.:	AB3C17D26 (1)
Weight, g/mol:	265.134575
ΔH_f, kcal/mol:	15.29
Dipole, Da:	4.06
IP(EA), eV:	-8.21(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)NCC(=C)CN1CCN(CC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations