Geometry & MOs

Info

ID:	166462
PubChem CID:	74692790
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	404.135879
ΔH_f, kcal/mol:	-21.43
Dipole, Da:	2.51
IP(EA), eV:	-8.98(0.6)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[2-[4-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]phenyl]ethenyl]-5-nitro-2-oxo-5H-pyrimidin-4-olate

Drug info:

PubChemData

Smile

CC[NH+](C)CCC(C1=CC=CC=C1)[NH+]2CCOCC2

DOS

IR

Vibrations