Geometry & MOs

Info

ID:	195795
PubChem CID:	78732387
Reduced:	ClN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	16.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.958747
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)C=CC2=CC=CO2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations