Geometry & MOs

Info

ID:	289987
PubChem CID:	104395155
Reduced:	Cl2N2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	216.16602
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	1.44
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-ethyl-2-N-(thian-2-ylmethyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CNC)NCC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations