Geometry & MOs

Info

ID:	202053
PubChem CID:	79622494
Reduced:	INSO2C7H14 (1)
Stoich.:	ABCD2E7F14 (1)
Weight, g/mol:	289.182398
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	5.31
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CI

DOS

IR

Vibrations