Geometry & MOs

Info

ID:	325700
PubChem CID:	126684561
Reduced:	ClN4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	494.16623
ΔH_f, kcal/mol:	70.52
Dipole, Da:	5.35
IP(EA), eV:	-7.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[(dimethylamino)methyl]-5-[[4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazinyl]benzoyl]amino]benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C=C\1C=CC(=N/C1=C(\N)/N=C\N)Cl

DOS

IR

Vibrations