Geometry & MOs

Info

ID:	205221
PubChem CID:	80070602
Reduced:	OC4H6 (3)
Stoich.:	AB4C6 (3)
Weight, g/mol:	291.186815
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	2.27
IP(EA), eV:	-9.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylsulfonylcyclohexyl)-4-(propan-2-ylamino)butan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)OC(C)C(C)O)O

DOS

IR

Vibrations