Geometry & MOs

Info

ID:	318378
PubChem CID:	126651008
Reduced:	ClON2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	320.067618
ΔH_f, kcal/mol:	9.31
Dipole, Da:	2.53
IP(EA), eV:	-8.85(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-chloro-5-methyl-2-(1,2-oxazol-5-yl)phenoxy]methyl]-4-methyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C3C=CC=CC3=NN2

DOS

IR

Vibrations