Geometry & MOs

Info

ID:	208796
PubChem CID:	80586686
Reduced:	SN2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	276.16602
ΔH_f, kcal/mol:	3.19
Dipole, Da:	2.69
IP(EA), eV:	-8.34(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CNC(CN1CC2CCCS2)(C)C3=CC=CC=C3

DOS

IR

Vibrations