Geometry & MOs

Info

ID:	279349
PubChem CID:	103843263
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	5.18
IP(EA), eV:	-9.45(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C1=CC=CC=C1C)CO

DOS

IR

Vibrations