Geometry & MOs

Info

ID:	339217
PubChem CID:	127260596
Reduced:	IOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	246.102272
ΔH_f, kcal/mol:	-56.59
Dipole, Da:	2.93
IP(EA), eV:	-9.46(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxycyclohexyl) 2-chloro-2,3-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

CCCCC1CCC/C(=C\I)/C1O

DOS

IR

Vibrations