Geometry & MOs

Info

ID:	233556
PubChem CID:	91145444
Reduced:	SN3O5C30H37 (1)
Stoich.:	AB3C5D30E37 (1)
Weight, g/mol:	184.182715
ΔH_f, kcal/mol:	-137.37
Dipole, Da:	5.94
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(2-methylbutan-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(C2CCN(CC2)[C@@H]3CCCC[C@@]3(C4=CN=CC=C4)O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations