Geometry & MOs

Info

ID:	273149
PubChem CID:	103770579
Reduced:	ClNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	1.26
IP(EA), eV:	-9.54(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations