Geometry & MOs

Info

ID:	279341
PubChem CID:	103843193
Reduced:	NO2C16H31 (1)
Stoich.:	AB2C16D31 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	5.23
IP(EA), eV:	-9.65(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1CCCCCCC1)CO

DOS

IR

Vibrations