Geometry & MOs

Info

ID:	323837
PubChem CID:	126676296
Reduced:	FN3O4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	432.103197
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	3.62
IP(EA), eV:	-9.71(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=CN(C1=O)CC2=CC(=CC=C2)F)C(=O)N[C@@H]3C[C@H]3CO

DOS

IR

Vibrations