Geometry & MOs

Info

ID:	295047
PubChem CID:	117512683
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	331.98148
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	7.84
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-chloro-4-methoxyphenyl)-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC)C2CC(CN2)C(=O)O

DOS

IR

Vibrations