Geometry & MOs

Info

ID:	279412
PubChem CID:	103843867
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-120.02
Dipole, Da:	3.75
IP(EA), eV:	-9.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC=CO1)CO

DOS

IR

Vibrations