Geometry & MOs

Info

ID:	203704
PubChem CID:	79859311
Reduced:	NSO3C13H27 (1)
Stoich.:	ABC3D13E27 (1)
Weight, g/mol:	263.155515
ΔH_f, kcal/mol:	-158.16
Dipole, Da:	5.48
IP(EA), eV:	-8.93(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-methylsulfonylethyl)amino]methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC1(CCCCCC1)CO

DOS

IR

Vibrations