Geometry & MOs

Info

ID:	84762
PubChem CID:	49869745
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	272.05211
ΔH_f, kcal/mol:	-2.72
Dipole, Da:	2.92
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-pyridazin-4-yl-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12C3=CC=CN3C4=C(N2)C=CC=N4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations