Geometry & MOs

Info

ID:	16765
PubChem CID:	476590
Reduced:	N5C12H13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	227.117095
ΔH_f, kcal/mol:	131.44
Dipole, Da:	5.3
IP(EA), eV:	-9.07(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4,6-dimethylpyrazolo[3,4-d]triazole

Drug info:

PubChemData

Smile

CC1=NN(C2=C1N=NN2CC3=CC=CC=C3)C

DOS

IR

Vibrations