Geometry & MOs

Info

ID:	162203
PubChem CID:	57393929
Reduced:	ClN2O2C19H31 (1)
Stoich.:	AB2C2D19E31 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	-112.33
Dipole, Da:	6.18
IP(EA), eV:	-8.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-1-[(E)-3-(3-methoxyphenyl)but-2-enyl]piperidine

Drug info:

PubChemData

Smile

CCCCCCCCNC1=CC(=C(C=C1)C(=O)OCCN(C)C)Cl

DOS

IR

Vibrations