Geometry & MOs

Info

ID:	202199
PubChem CID:	79641155
Reduced:	ClNOSC16H24 (1)
Stoich.:	ABCDE16F24 (1)
Weight, g/mol:	245.199094
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	1.94
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-3-(1-methoxypropan-2-yloxy)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C)NC1(CCCC(C1)SC2=CC(=CC=C2)Cl)CO

DOS

IR

Vibrations