Geometry & MOs

Info

ID:	280361
PubChem CID:	103848622
Reduced:	ClNO2F3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	269.118257
ΔH_f, kcal/mol:	-246.0
Dipole, Da:	6.81
IP(EA), eV:	-9.89(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NCC(C(F)(F)F)O)Cl

DOS

IR

Vibrations