Geometry & MOs

Info

ID:	345163
PubChem CID:	127268923
Reduced:	SN2O2C10H22 (1)
Stoich.:	AB2C2D10E22 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	3.53
IP(EA), eV:	-9.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpyrrolidin-1-yl)sulfonylazepane

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)N1CCC(C1)C

DOS

IR

Vibrations