Geometry & MOs

Info

ID:	128919
PubChem CID:	51063671
Reduced:	ClN2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	274.050905
ΔH_f, kcal/mol:	8.2
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-[(E)-(2-methylindol-3-ylidene)methyl]-2H-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CN1C=CC=C1/C=C\2/C(=NOC2=O)CCl

DOS

IR

Vibrations