Geometry & MOs

Info

ID:	221436
PubChem CID:	85273699
Reduced:	O5C17H24 (1)
Stoich.:	A5B17C24 (1)
Weight, g/mol:	308.141245
ΔH_f, kcal/mol:	-247.94
Dipole, Da:	6.79
IP(EA), eV:	-10.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-hydroxycyclohex-3-en-1-yl)-phenylmethyl] benzoate

Drug info:

PubChemData

Smile

CC1=C2CC3C(CCC3(C)O)C(CC2OC1=O)(C)OC(=O)C

DOS

IR

Vibrations