Geometry & MOs

Info

ID:	83938
PubChem CID:	49862656
Reduced:	BrN3O4H8C12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	305.064785
ΔH_f, kcal/mol:	28.3
Dipole, Da:	1.49
IP(EA), eV:	-9.51(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-nitrofuran-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)/C=N/NC(=O)C2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations