Geometry & MOs

Info

ID:	38229
PubChem CID:	8028324
Reduced:	O3N4C15H18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	338.117904
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	8.28
IP(EA), eV:	-8.53(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-fluoro-1-methylindol-3-yl)methyl]-7-methyl-3,6-dihydropyrido[3,4-d]pyridazine-4,5-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])N3CCCCC3)C(=O)N1C

DOS

IR

Vibrations