Geometry & MOs

Info

ID:	246802
PubChem CID:	103065010
Reduced:	SN2C14H28 (1)
Stoich.:	AB2C14D28 (1)
Weight, g/mol:	242.18167
ΔH_f, kcal/mol:	-31.44
Dipole, Da:	2.07
IP(EA), eV:	-8.33(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-(thiolan-3-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CCC1CNC(CN1C2CCSC2)C(C)(C)C

DOS

IR

Vibrations