Geometry & MOs

Info

ID:	204873
PubChem CID:	80024648
Reduced:	NO2S2C9H19 (1)
Stoich.:	AB2C2D9E19 (1)
Weight, g/mol:	243.202071
ΔH_f, kcal/mol:	-103.24
Dipole, Da:	5.49
IP(EA), eV:	-9.05(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[methyl(pentan-3-yl)amino]methyl]cyclohexyl]methanethiol

Drug info:

PubChemData

Smile

CCC(CN1CCS(=O)(=O)CC1)CS

DOS

IR

Vibrations