Geometry & MOs

Info

ID:	273142
PubChem CID:	103770564
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	313.124485
ΔH_f, kcal/mol:	-111.36
Dipole, Da:	2.74
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC=CO1)O

DOS

IR

Vibrations