Geometry & MOs

Info

ID:	207257
PubChem CID:	80367598
Reduced:	NO5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	329.02627
ΔH_f, kcal/mol:	-239.44
Dipole, Da:	4.24
IP(EA), eV:	-9.63(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(4-methoxy-3-methylbutanoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCOCCCC(=O)N1CCC(CC1)OCC(=O)O

DOS

IR

Vibrations