Geometry & MOs

Info

ID:	220880
PubChem CID:	85240255
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	282.165351
ΔH_f, kcal/mol:	-4.8
Dipole, Da:	3.34
IP(EA), eV:	-8.18(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(5-methyl-4-methylsulfanylhex-3-en-2-yl)cyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C=CC=CC=CC=CC=COC)(C1=CC=CC=C1)O

DOS

IR

Vibrations