Geometry & MOs

Info

ID:	340428
PubChem CID:	127262439
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-167.77
Dipole, Da:	3.0
IP(EA), eV:	-9.2(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyloxyphenyl)methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC(=O)C)OC(=O)C

DOS

IR

Vibrations