Geometry & MOs

Info

ID:	202316
PubChem CID:	79656236
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	240.220164
ΔH_f, kcal/mol:	-61.12
Dipole, Da:	6.2
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-amino-3-[cyclohexyl(ethyl)amino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CCCNC1(CCC(C1)SC2=NC=CN=C2)C(=O)O

DOS

IR

Vibrations