Geometry & MOs

Info

ID:	190799
PubChem CID:	78058612
Reduced:	ON8C24H32 (1)
Stoich.:	AB8C24D32 (1)
Weight, g/mol:	498.235533
ΔH_f, kcal/mol:	74.86
Dipole, Da:	9.27
IP(EA), eV:	-8.37(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;6-[4-[(5-oxo-2-phenyl-2,3,4,4a,6,7,8,8a-octahydro-1H-pyrimido[4,5-d]pyridazin-4-yl)amino]phenyl]-6-azaspiro[2.5]octane-2-carboxylate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=NC4=CN=NC(=O)C43)N5CCCCCC5

DOS

IR

Vibrations