Geometry & MOs

Info

ID:	67879
PubChem CID:	46507354
Reduced:	F2O2N5H17C24 (1)
Stoich.:	A2B2C5D17E24 (1)
Weight, g/mol:	374.062675
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	6.43
IP(EA), eV:	-9.28(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C2N1C3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C(=O)N2C5=CC=C(C=C5)F

DOS

IR

Vibrations