Geometry & MOs

Info

ID:	55237
PubChem CID:	17389938
Reduced:	ON4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	203.117095
ΔH_f, kcal/mol:	57.61
Dipole, Da:	6.58
IP(EA), eV:	-8.52(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(dimethylamino)phenyl]-1H-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1=C/C(=C/2\NNC(=N2)N)/C(=O)C=C1

DOS

IR

Vibrations