Geometry & MOs

Info

ID:	195794
PubChem CID:	78732386
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	345.136981
ΔH_f, kcal/mol:	19.52
Dipole, Da:	7.28
IP(EA), eV:	-8.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=CC(=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations