Geometry & MOs

Info

ID:	382366
PubChem CID:	134973472
Reduced:	CrO3C5H13 (1)
Stoich.:	AB3C5D13 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.881533
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-[ethyl(methyl)amino]-2,6-dimethyl-3-oxopyridazin-4-yl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

[CH3-].[CH3-].[CH2-]O.[CH2-]O.[CH-]=O.[Cr+5]

DOS

IR

Vibrations