Geometry & MOs

Info

ID:	385500
PubChem CID:	134979250
Reduced:	IOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	194.203451
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	2.82
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CC/C(=C/CO)/I)/C)C

DOS

IR

Vibrations