Geometry & MOs

Info

ID:	324226
PubChem CID:	126677188
Reduced:	N2O4C11H18 (1)
Stoich.:	A2B4C11D18 (1)
Weight, g/mol:	405.156767
ΔH_f, kcal/mol:	-152.75
Dipole, Da:	2.91
IP(EA), eV:	-9.68(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(C1=CC(=NN1C2CCCCO2)CO)O

DOS

IR

Vibrations