Geometry & MOs

Info

ID:	54731
PubChem CID:	17389171
Reduced:	ClO2N5H10C11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	461.95139
ΔH_f, kcal/mol:	16.41
Dipole, Da:	7.84
IP(EA), eV:	-9.3(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[4-[(2E)-2-benzylidenehydrazinyl]-6-methyl-1H-pyrimidin-2-ylidene]-2,4-dibromocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=C/C(=C\NNC2=NC(=CC(=N2)Cl)N)/C(=CC1=O)O

DOS

IR

Vibrations