Geometry & MOs

Info

ID:	22055
PubChem CID:	595910
Reduced:	N5C7H9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	163.085795
ΔH_f, kcal/mol:	85.5
Dipole, Da:	2.54
IP(EA), eV:	-9.36(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethylpyrazol-1-yl)-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=NN2)C

DOS

IR

Vibrations