Geometry & MOs

Info

ID:	167631
PubChem CID:	74850498
Reduced:	ClO2F3N3C23H25 (1)
Stoich.:	AB2C3D3E23F25 (1)
Weight, g/mol:	324.085855
ΔH_f, kcal/mol:	-213.43
Dipole, Da:	4.39
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4-oxo-4aH-quinazoline-2-carbohydrazide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)C(=O)OCCC(F)(F)F)[N+](=C1C=CNC3=CC=CC=C3)CC.[Cl-]

DOS

IR

Vibrations