Geometry & MOs

Info

ID:	246788
PubChem CID:	103064961
Reduced:	SN2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	228.16602
ΔH_f, kcal/mol:	-22.45
Dipole, Da:	2.1
IP(EA), eV:	-8.51(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-1-(thiolan-3-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CCCC1CN(C(CN1)C)C2CCSC2

DOS

IR

Vibrations