Geometry & MOs

Info

ID:	220486
PubChem CID:	85195547
Reduced:	N2O3C11H18 (1)
Stoich.:	A2B3C11D18 (1)
Weight, g/mol:	226.156895
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	7.95
IP(EA), eV:	-8.91(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-yl] acetate

Drug info:

PubChemData

Smile

COCC1CCCN1N=CC2CC(=O)OC2

DOS

IR

Vibrations