Geometry & MOs

Info

ID:	128918
PubChem CID:	51063625
Reduced:	NCl2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	224.035255
ΔH_f, kcal/mol:	-146.46
Dipole, Da:	3.44
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-3-(chloromethyl)-4-[(1-methylpyrrol-2-yl)methylidene]-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC(=O)CCCCl)OC(=O)CCCCl

DOS

IR

Vibrations