Geometry & MOs

Info

ID:	386118
PubChem CID:	134980820
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	290.097666
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	0.94
IP(EA), eV:	-9.79(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-formyl-4-methyl-2-phenylsulfanylcyclohexen-1-yl) acetate

Drug info:

PubChemData

Smile

C1CC(C(C=C1)CCCO)O

DOS

IR

Vibrations