Geometry & MOs

Info

ID:	202511
PubChem CID:	79679721
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-73.08
Dipole, Da:	6.62
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-2-methylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCCC2)C(=O)O

DOS

IR

Vibrations