Geometry & MOs

Info

ID:	183266
PubChem CID:	77000030
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	365.96583
ΔH_f, kcal/mol:	-71.96
Dipole, Da:	4.65
IP(EA), eV:	-8.54(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-bromo-2-(2-chloro-4-methylphenoxy)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1=C(C=CC(=C1)Br)C=CC(=O)O)C(C)C

DOS

IR

Vibrations