Geometry & MOs

Info

ID:	393165
PubChem CID:	135019611
Reduced:	SiO3C34H48 (1)
Stoich.:	AB3C34D48 (1)
Weight, g/mol:	346.133572
ΔH_f, kcal/mol:	-142.91
Dipole, Da:	3.88
IP(EA), eV:	-8.8(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-3-(4-chlorophenyl)-6,6-dimethyl-8-oxo-1,2,3,4,5,7-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C[C@H]2CC=C(C2(C(C1)OCOC)CC=C)CCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations