Geometry & MOs

Info

ID:	273273
PubChem CID:	103770804
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-112.71
Dipole, Da:	2.16
IP(EA), eV:	-9.82(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations