Geometry & MOs

Info

ID:	249511
PubChem CID:	103090134
Reduced:	SN3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	20.2
Dipole, Da:	3.1
IP(EA), eV:	-8.56(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-diazepan-1-yl)-5-methylsulfanylpentan-1-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CCCSC)C#N

DOS

IR

Vibrations