Geometry & MOs

Info

ID:	205148
PubChem CID:	80060602
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	310.160266
ΔH_f, kcal/mol:	5.48
Dipole, Da:	3.71
IP(EA), eV:	-9.0(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-1-(3-methylsulfonylcyclohexyl)ethanol

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)CC2=CN=C(C=C2)OC

DOS

IR

Vibrations