Geometry & MOs

Info

ID:	203703
PubChem CID:	79859310
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	277.171165
ΔH_f, kcal/mol:	-194.06
Dipole, Da:	4.83
IP(EA), eV:	-9.75(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cycloheptyl]methanol

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC1(CCCC1)C(=O)O

DOS

IR

Vibrations