Geometry & MOs

Info

ID:	279355
PubChem CID:	103843375
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	331.05832
ΔH_f, kcal/mol:	-109.16
Dipole, Da:	4.29
IP(EA), eV:	-9.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations