Geometry & MOs

Info

ID:	216358
PubChem CID:	85086092
Reduced:	O2C7H13 (2)
Stoich.:	A2B7C13 (2)
Weight, g/mol:	258.16198
ΔH_f, kcal/mol:	-225.98
Dipole, Da:	2.15
IP(EA), eV:	-9.63(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-benzylidene-2,2-dimethylcyclohexyl) acetate

Drug info:

PubChemData

Smile

CC1CCC(OC1CO)C(C)CCCOC(=O)C

DOS

IR

Vibrations