Geometry & MOs

Info

ID:	62242
PubChem CID:	26718535
Reduced:	BrN3O6H12C16 (1)
Stoich.:	AB3C6D12E16 (1)
Weight, g/mol:	440.01202
ΔH_f, kcal/mol:	-78.3
Dipole, Da:	6.8
IP(EA), eV:	-9.78(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)NNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations