Geometry & MOs

Info

ID:	280677
PubChem CID:	103850685
Reduced:	ClNO4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	317.058549
ΔH_f, kcal/mol:	-176.35
Dipole, Da:	0.64
IP(EA), eV:	-8.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,3-dichlorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CCC1=CC(=C(C=C1)OC)Cl

DOS

IR

Vibrations