Geometry & MOs

Info

ID:	340366
PubChem CID:	127262377
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	248.096793
ΔH_f, kcal/mol:	-191.9
Dipole, Da:	3.04
IP(EA), eV:	-10.6(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-benzylidene-1-methylcyclohexane-1-carbonyl chloride

Drug info:

PubChemData

Smile

CC(C)CC(O)OC(=O)CC1CCCCC1

DOS

IR

Vibrations