Geometry & MOs

Info

ID:	317736
PubChem CID:	126645592
Reduced:	O2F3N3H6C10 (1)
Stoich.:	A2B3C3D6E10 (1)
Weight, g/mol:	417.079722
ΔH_f, kcal/mol:	-143.5
Dipole, Da:	3.77
IP(EA), eV:	-9.87(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazole-3-carbonyl]amino]benzoyl azide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NC(=N2)C=O)OC(F)(F)F

DOS

IR

Vibrations