Geometry & MOs

Info

ID:	28082
PubChem CID:	825438
Reduced:	ClNOH14C19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	265.086956
ΔH_f, kcal/mol:	27.9
Dipole, Da:	5.07
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NC(=O)C=CC3=CC=CC=C3Cl

DOS

IR

Vibrations