Geometry & MOs

Info

ID:	402878
PubChem CID:	135057630
Reduced:	ON2H14C20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	422.058196
ΔH_f, kcal/mol:	82.82
Dipole, Da:	2.91
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-2-(2-fluoro-4-nitrophenyl)triazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3C4=CC=CC=N4

DOS

IR

Vibrations