Geometry & MOs

Info

ID:	85482
PubChem CID:	49875734
Reduced:	BrN3O5H12C16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	404.99603
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	9.59
IP(EA), eV:	-9.32(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(Z)-(3-bromo-5-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

C1C2C=CC1C3C2C(=O)N(C3=O)N/C=C\4/C=C(C=C(C4=O)Br)[N+](=O)[O-]

DOS

IR

Vibrations