Geometry & MOs

Info

ID:	16766
PubChem CID:	476598
Reduced:	N3C5H5 (2)
Stoich.:	A3B5C5 (2)
Weight, g/mol:	214.096694
ΔH_f, kcal/mol:	162.82
Dipole, Da:	2.41
IP(EA), eV:	-8.55(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-phenylpyrazolo[3,4-d]triazol-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C2=NN(N=C12)N)C3=CC=CC=C3

DOS

IR

Vibrations