Geometry & MOs

Info

ID:	405801
PubChem CID:	135075463
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	2.23
IP(EA), eV:	-10.0(2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6R)-6-formyl-3,6-dimethylcyclohex-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

CC1CC[C@@H]2CCC[C@]1(C2)O

DOS

IR

Vibrations