Geometry & MOs

Info

ID:	258932
PubChem CID:	103157468
Reduced:	SO2N5C11H17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	253.240565
ΔH_f, kcal/mol:	6.2
Dipole, Da:	6.53
IP(EA), eV:	-9.37(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(4-ethylcyclohexyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC1=NN2C(=NN=C2S1)C3CCOC3)CN

DOS

IR

Vibrations