Geometry & MOs

Info

ID:	54571
PubChem CID:	17388923
Reduced:	BrN3O5H10C16 (1)
Stoich.:	AB3C5D10E16 (1)
Weight, g/mol:	380.09277
ΔH_f, kcal/mol:	-8.29
Dipole, Da:	9.41
IP(EA), eV:	-9.48(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-phenylphenoxy)acetohydrazide

Drug info:

PubChemData

Smile

C1=CC(=O)/C(=C\NNC(=O)C2=CC3=C(O2)C=CC(=C3)Br)/C=C1[N+](=O)[O-]

DOS

IR

Vibrations