Geometry & MOs

Info

ID:	273769
PubChem CID:	103799590
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	283.097521
ΔH_f, kcal/mol:	-180.26
Dipole, Da:	2.12
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=CC2=C(C=C1)OCO2

DOS

IR

Vibrations