Geometry & MOs

Info

ID:	318368
PubChem CID:	126650846
Reduced:	ClN3O3C21H28 (1)
Stoich.:	AB3C3D21E28 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	4.29
IP(EA), eV:	-8.56(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-4-methyl-2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methoxy]phenyl]-N-(2-hydroxyethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)(C)C)OCC2=NNC3=C2CN(CC3)C(=O)COC

DOS

IR

Vibrations