Geometry & MOs

Info

ID:	386114
PubChem CID:	134980815
Reduced:	SN2O7C16H22 (1)
Stoich.:	AB2C7D16E22 (1)
Weight, g/mol:	152.120115
ΔH_f, kcal/mol:	-220.19
Dipole, Da:	1.4
IP(EA), eV:	-9.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-1,2-dimethylcyclohex-3-en-1-yl]ethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)N([C@H]1C=CCC[C@H]1C=O)N(C(=O)OCC=C)C(=O)OCC=C

DOS

IR

Vibrations