Geometry & MOs

Info

ID:	57847
PubChem CID:	24277731
Reduced:	FO3N4H5C10 (1)
Stoich.:	AB3C4D5E10 (1)
Weight, g/mol:	430.083268
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	8.24
IP(EA), eV:	-10.02(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-chlorophenyl)-6-methyl-2,1-benzoxazol-5-yl]-5-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C(=O)N=C3N2NN=C3C(=O)O

DOS

IR

Vibrations