Geometry & MOs

Info

ID:	133925
PubChem CID:	51614747
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	426.254538
ΔH_f, kcal/mol:	5.02
Dipole, Da:	1.71
IP(EA), eV:	-8.67(0.56)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-benzhydryl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CN[C@]1(CCC2=CC=CC=C2C1)CN3CCCC3

DOS

IR

Vibrations