Geometry & MOs

Info

ID:	279423
PubChem CID:	103843890
Reduced:	BrN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	2.57
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-2,3-dimethylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=CC(=CN1C)Br)CO

DOS

IR

Vibrations