Geometry & MOs

Info

ID:	208121
PubChem CID:	80497259
Reduced:	ClC5H5N6 (1)
Stoich.:	AB5C5D6 (1)
Weight, g/mol:	270.122909
ΔH_f, kcal/mol:	104.99
Dipole, Da:	1.69
IP(EA), eV:	-9.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxyphenyl)-2-methyl-5-(2H-triazol-4-yl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C1=NNN=C1C2=NNC(=N2)CCl

DOS

IR

Vibrations