Geometry & MOs

Info

ID:	150396
PubChem CID:	53790085
Reduced:	FO3C27H33 (1)
Stoich.:	AB3C27D33 (1)
Weight, g/mol:	206.062906
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	5.67
IP(EA), eV:	-9.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-1,2-dichloro-1-methyl-4-prop-1-en-2-ylcyclohexane

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C=CCOC2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)F

DOS

IR

Vibrations