Geometry & MOs

Info

ID:	85481
PubChem CID:	49875728
Reduced:	ON5H17C19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	404.99603
ΔH_f, kcal/mol:	111.5
Dipole, Da:	1.31
IP(EA), eV:	-8.43(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-(5-bromo-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=N/N/C(=N\C2=CC=CC=N2)/C3=CC=CC=N3

DOS

IR

Vibrations