Geometry & MOs

Info

ID:	251283
PubChem CID:	103102749
Reduced:	ClN4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	185.098669
ΔH_f, kcal/mol:	11.87
Dipole, Da:	3.12
IP(EA), eV:	-8.93(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-(1,3-thiazol-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Cl)CN(CC)CCN)C

DOS

IR

Vibrations