Geometry & MOs

Info

ID:	54570
PubChem CID:	17388919
Reduced:	N4O5H12C18 (1)
Stoich.:	A4B5C12D18 (1)
Weight, g/mol:	402.98038
ΔH_f, kcal/mol:	-42.43
Dipole, Da:	4.34
IP(EA), eV:	-9.5(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N'-[(Z)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1-benzofuran-2-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(C(=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-])N)C(=O)O2

DOS

IR

Vibrations