Geometry & MOs

Info

ID:	161631
PubChem CID:	57392185
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	417.222328
ΔH_f, kcal/mol:	-25.14
Dipole, Da:	2.55
IP(EA), eV:	-8.54(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-[(E)-3-(4-phenylphenyl)but-2-enyl]piperidine;hydrochloride

Drug info:

PubChemData

Smile

C/C(=C\CN1CCCCC1)/C2=CC=C(C=C2)OC

DOS

IR

Vibrations