Geometry & MOs

Info

ID:	127816
PubChem CID:	51017265
Reduced:	SiO4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	250.229666
ΔH_f, kcal/mol:	-210.58
Dipole, Da:	4.26
IP(EA), eV:	-8.75(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4R)-3-(cyclohexylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C[C@@]12C=C[C@](O1)([C@@H]3[C@H]2[C@H](CC3=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations