Geometry & MOs

Info

ID:	389541
PubChem CID:	134993589
Reduced:	O2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	192.187801
ΔH_f, kcal/mol:	-31.03
Dipole, Da:	3.17
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(4-methylcyclohexylidene)cyclohexane

Drug info:

PubChemData

Smile

CCCCCCC#CC#C/C=C(\C)/C(=O)OC

DOS

IR

Vibrations