Geometry & MOs

Info

ID:	309161
PubChem CID:	126539226
Reduced:	O2C8H13 (2)
Stoich.:	A2B8C13 (2)
Weight, g/mol:	272.96367
ΔH_f, kcal/mol:	-162.72
Dipole, Da:	1.66
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=CCCCC1C(C(CCC12CO2)OC=O)OC)C

DOS

IR

Vibrations