Geometry & MOs

Info

ID:	6476
PubChem CID:	68719
Reduced:	Cl2N6H8C9 (1)
Stoich.:	A2B6C8D9 (1)
Weight, g/mol:	270.01875
ΔH_f, kcal/mol:	120.64
Dipole, Da:	7.66
IP(EA), eV:	-9.27(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(2,6-dichlorophenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C=NNC2=NN=CN2N)Cl

DOS

IR

Vibrations