Geometry & MOs

Info

ID:	208797
PubChem CID:	80586687
Reduced:	SN2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	228.16602
ΔH_f, kcal/mol:	16.69
Dipole, Da:	0.46
IP(EA), eV:	-8.63(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(thiolan-2-ylmethyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC(SC1)CN2CCCNC(C2)C3=CC=CC=C3

DOS

IR

Vibrations