Geometry & MOs

Info

ID:	195798
PubChem CID:	78732390
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	385.168281
ΔH_f, kcal/mol:	3.35
Dipole, Da:	4.89
IP(EA), eV:	-9.08(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C=CC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations