Geometry & MOs

Info

ID:	397414
PubChem CID:	135030187
Reduced:	BrOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	3.53
IP(EA), eV:	-9.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6,9,13-tetraethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

COC(CC=C)C1=CC=C(C=C1)CC/C=C/Br

DOS

IR

Vibrations