Geometry & MOs

Info

ID:

122586

PubChem CID:

50813297

Reduced:

O3N4C24H26 (1)

Stoich.:

A3B4C24D26 (1)

Weight, g/mol:

483.181901

ΔHf, kcal/mol:

-67.96

Dipole, Da:

4.41

IP(EA), eV:

 -8.56(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(2-fluorophenyl)methoxy]phenyl]-3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)C(=C2)NC(=O)C(C)C)CC(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations