Geometry & MOs

Info

ID:	385533
PubChem CID:	134979340
Reduced:	Si2O3C36H56 (1)
Stoich.:	A2B3C36D56 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-220.63
Dipole, Da:	1.93
IP(EA), eV:	-8.77(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (1R,2S)-2,4-dimethylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]([C@](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)CCCO[Si](C)(C)C(C)(C)C)(C)C=O

DOS

IR

Vibrations