Geometry & MOs

Info

ID:	84120
PubChem CID:	49864320
Reduced:	OSN6H18C20 (1)
Stoich.:	ABC6D18E20 (1)
Weight, g/mol:	460.06666
ΔH_f, kcal/mol:	110.24
Dipole, Da:	5.45
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-azido-3-(125I)iodanylphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrrolo[3,4-d]pyridazin-4-one

Drug info:

PubChemData

Smile

CCN1N=C(N=N1)C2=C(N=C(S2)NC(=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations