Geometry & MOs

Info

ID:	273443
PubChem CID:	103771131
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	299.128821
ΔH_f, kcal/mol:	-45.88
Dipole, Da:	2.51
IP(EA), eV:	-9.86(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations