Geometry & MOs

Info

ID:	392696
PubChem CID:	135017692
Reduced:	BrNO4H10C14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	4.09
IP(EA), eV:	-9.21(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-oxo-10-oxa-1-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,9(16),11,13-hexaene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=C1)NC3=C(C2=O)OC=C3Br

DOS

IR

Vibrations