Geometry & MOs

Info

ID:	145675
PubChem CID:	53569694
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	340.078325
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	6.49
IP(EA), eV:	-8.86(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-oxo-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-4H-isochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)NCCNC(=O)CC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations