Geometry & MOs

Info

ID:	279354
PubChem CID:	103843365
Reduced:	ClNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	-131.97
Dipole, Da:	3.9
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylbenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C1=C(C=CC(=C1)Cl)OC)CO

DOS

IR

Vibrations