Geometry & MOs

Info

ID:	318379
PubChem CID:	126651009
Reduced:	ClO3N4H13C14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	358.063282
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	5.55
IP(EA), eV:	-9.24(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC=NO2)OCC3=NNC(=O)N3C

DOS

IR

Vibrations