Geometry & MOs

Info

ID:	385921
PubChem CID:	134980323
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-131.71
Dipole, Da:	0.99
IP(EA), eV:	-9.64(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S)-2-propan-2-ylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CO[C@H]1C=CCC[C@]1(C(=O)OC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations