Geometry & MOs

Info

ID:	204338
PubChem CID:	79950119
Reduced:	SN3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	225.129969
ΔH_f, kcal/mol:	-20.08
Dipole, Da:	1.36
IP(EA), eV:	-8.57(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,4-diazepan-1-yl)-5-methylthiolane-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CC(CS1)(CN)N2CCN3CCCCC3C2

DOS

IR

Vibrations