Geometry & MOs

Info

ID:	291994
PubChem CID:	114003847
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	313.03136
ΔH_f, kcal/mol:	-129.39
Dipole, Da:	7.53
IP(EA), eV:	-9.57(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-(2,3-dimethylbutanoylamino)benzoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)NC1=C(C=CC(=C1)C(=O)O)Br

DOS

IR

Vibrations