Geometry & MOs

Info

ID:	224553
PubChem CID:	85344728
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	18.13
Dipole, Da:	3.06
IP(EA), eV:	-9.0(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylcyclohex-2-en-1-yl) benzoate

Drug info:

PubChemData

Smile

COC1=C(C2CCC1C3=CC=CC=C23)OC

DOS

IR

Vibrations