Geometry & MOs

Info

ID:	195796
PubChem CID:	78732388
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	355.157716
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	4.53
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C=CC2=CC=CO2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations