Geometry & MOs

Info

ID:	282908
PubChem CID:	103945308
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	4.73
IP(EA), eV:	-8.62(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)O)C(=O)N[C@H](CO)C2=CC=CC=C2

DOS

IR

Vibrations