Geometry & MOs

Info

ID:	318380
PubChem CID:	126651011
Reduced:	ClFO2N4H12C17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	340.072703
ΔH_f, kcal/mol:	-13.62
Dipole, Da:	2.41
IP(EA), eV:	-9.67(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]-5-phenylbenzonitrile

Drug info:

PubChemData

Smile

CN1C(=NNC1=O)COC2=C(C=C(C(=C2)Cl)C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations