Geometry & MOs

Info

ID:	202186
PubChem CID:	79639898
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	3.52
IP(EA), eV:	-8.46(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-3-(2-methoxyethylsulfanyl)cyclohexyl]methanol

Drug info:

PubChemData

Smile

CNC1(CCC(C1)OC2=CC3=C(C=C2)OCO3)C#N

DOS

IR

Vibrations