Geometry & MOs

Info

ID:	9289
PubChem CID:	87765
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-87.61
Dipole, Da:	2.47
IP(EA), eV:	-9.1(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl) cyclohexanecarboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(=O)C2CCCCC2

DOS

IR

Vibrations