Geometry & MOs

Info

ID:	385610
PubChem CID:	134979540
Reduced:	ClSeSiO3C18H25 (1)
Stoich.:	ABCD3E18F25 (1)
Weight, g/mol:	316.167459
ΔH_f, kcal/mol:	-178.47
Dipole, Da:	2.48
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,5R,6S)-6-formyl-6-methyl-5-(2-phenylmethoxyethyl)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC=C(C[C@@]1(C(=O)OC)[Se]C2=CC=C(C=C2)Cl)O[Si](C)(C)C

DOS

IR

Vibrations