Geometry & MOs

Info

ID:	289762
PubChem CID:	104372923
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-68.25
Dipole, Da:	4.77
IP(EA), eV:	-9.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CC1(C2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations