Geometry & MOs

Info

ID:	21994
PubChem CID:	594622
Reduced:	Cl2O2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	272.037085
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	3.21
IP(EA), eV:	-9.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dichlorophenyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC(=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations