Geometry & MOs

Info

ID:	207320
PubChem CID:	80376266
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	399.93574
ΔH_f, kcal/mol:	-10.04
Dipole, Da:	7.14
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(2,6-dibromo-4-methylphenyl)-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NC2=CN=C(C=C2)OC

DOS

IR

Vibrations