Geometry & MOs

Info

ID:	273174
PubChem CID:	103770625
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	1.84
IP(EA), eV:	-8.72(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)CCOC1=CC=CC=C1C)O

DOS

IR

Vibrations