Geometry & MOs

Info

ID:	276812
PubChem CID:	103825377
Reduced:	BrNO4C15H22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-161.29
Dipole, Da:	4.92
IP(EA), eV:	-8.69(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=C(C(=CC(=C1)OC)Br)OC

DOS

IR

Vibrations