Geometry & MOs

Info

ID:	166458
PubChem CID:	74691219
Reduced:	BrN3O5H12C14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	387.030323
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	7.86
IP(EA), eV:	-9.34(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-chloro-5-[5-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC2=NC(=O)NC(=O)C2[N+](=O)[O-])Br

DOS

IR

Vibrations