Geometry & MOs

Info

ID:	289834
PubChem CID:	104377544
Reduced:	OSN2C10H18 (1)
Stoich.:	ABC2D10E18 (1)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-16.76
Dipole, Da:	1.34
IP(EA), eV:	-8.56(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propyl-N'-(thian-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCNCCNCC1=CC(=CS1)OC

DOS

IR

Vibrations