Geometry & MOs

Info

ID:	150307
PubChem CID:	53789995
Reduced:	NO3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	391.98955
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	2.58
IP(EA), eV:	-10.51(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-(7-bromo-3-oxo-5-phenoxycyclohepta-1,4,6-trien-1-yl) 1-O-ethyl oxalate

Drug info:

PubChemData

Smile

CCCN(C=O)C(=O)OCC

DOS

IR

Vibrations