Geometry & MOs

Info

ID:	21072
PubChem CID:	587097
Reduced:	ClO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	251.046154
ΔH_f, kcal/mol:	21.79
Dipole, Da:	8.02
IP(EA), eV:	-9.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)-methylhydrazinylidene]-3-methyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=NOC(=O)C1=NN(C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations