Geometry & MOs

Info

ID:	282926
PubChem CID:	103946018
Reduced:	NO2F4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-298.46
Dipole, Da:	1.55
IP(EA), eV:	-10.25(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(1-hydroxy-3-methylpentan-3-yl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CC(=C(C=C1)F)C(F)(F)F

DOS

IR

Vibrations