Geometry & MOs

Info

ID:	208068
PubChem CID:	80490032
Reduced:	ClFN5H7C8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	46.01
Dipole, Da:	6.1
IP(EA), eV:	-9.16(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethylphenyl)-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C2=NN=C(N2N)N)F

DOS

IR

Vibrations