Geometry & MOs

Info

ID:	70971
PubChem CID:	48414127
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-87.92
Dipole, Da:	7.12
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)NCC2=C(NN=C2)C)OCC

DOS

IR

Vibrations