Geometry & MOs

Info

ID:	9290
PubChem CID:	87766
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	2.23
IP(EA), eV:	-9.1(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylphenyl) cyclohexanecarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC(=O)C2CCCCC2

DOS

IR

Vibrations