Geometry & MOs

Info

ID:	273161
PubChem CID:	103770604
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-47.81
Dipole, Da:	2.45
IP(EA), eV:	-9.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide

Drug info:

PubChemData

Smile

CCC(CC)C(CNC(=O)/C=C/C1=CC(=CC=C1)C#N)O

DOS

IR

Vibrations