Geometry & MOs

Info

ID:	47743
PubChem CID:	10535030
Reduced:	SC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	164.156501
ΔH_f, kcal/mol:	30.63
Dipole, Da:	1.81
IP(EA), eV:	-9.06(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-2-ethynyl-4-methyl-1-propan-2-ylcyclohexane

Drug info:

PubChemData

Smile

C=CCC(C1=CC=CC=C1)S

DOS

IR

Vibrations