Geometry & MOs

Info

ID:

187889

PubChem CID:

77638900

Reduced:

O3N4C35H38 (1)

Stoich.:

A3B4C35D38 (1)

Weight, g/mol:

469.212533

ΔHf, kcal/mol:

-63.88

Dipole, Da:

4.45

IP(EA), eV:

 -8.34(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[[4-fluoro-3-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]methyl]-3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one

Drug info:

PubChemData

Smile

CC(=O)CCCCCC(C(=O)NCCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)NC(=O)CC4=CNC5=CC=CC=C54

DOS

IR

Vibrations