Geometry & MOs

Info

ID:	251223
PubChem CID:	103102317
Reduced:	ClNC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	188.13472
ΔH_f, kcal/mol:	-6.64
Dipole, Da:	0.62
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-(thiolan-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCC1=C(C=CC(=C1)Cl)Cl)CCN

DOS

IR

Vibrations