Geometry & MOs

Info

ID:	158544
PubChem CID:	56464155
Reduced:	ClN3O4C22H30 (1)
Stoich.:	AB3C4D22E30 (1)
Weight, g/mol:	440.20597
ΔH_f, kcal/mol:	-99.07
Dipole, Da:	7.19
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Cl)C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)OCC

DOS

IR

Vibrations