Geometry & MOs

Info

ID:	379984
PubChem CID:	134964428
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	166.09938
ΔH_f, kcal/mol:	-127.88
Dipole, Da:	4.41
IP(EA), eV:	-9.24(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-bicyclo[2.2.2]oct-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=C[C@@H]1CCN(O1)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations