Geometry & MOs

Info

ID:	382912
PubChem CID:	134974349
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	338.00151
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	1.52
IP(EA), eV:	-8.23(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3E)-2-(iodomethyl)-8-oxo-2,5,6,7-tetrahydrooxocine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CC2=NCCO2)C3=CC=C(C=C3)O)OC

DOS

IR

Vibrations