Geometry & MOs

Info

ID:	385895
PubChem CID:	134980253
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	138.140851
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	1.83
IP(EA), eV:	-9.35(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-1-methyl-2-propylidenecyclohexane

Drug info:

PubChemData

Smile

CC(=O)OCCCCC[C@H](C=C)C1=CC=CC=C1

DOS

IR

Vibrations