Geometry & MOs

Info

ID:

312716

PubChem CID:

126607572

Reduced:

ON2H29C33 (1)

Stoich.:

AB2C29D33 (1)

Weight, g/mol:

499.213201

ΔHf, kcal/mol:

87.82

Dipole, Da:

3.92

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.532593

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]-5,6-dihydroimidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C2=C(CC[N+]3=CC=CC=C23)C=C1)C4=NC=CC(=C4)/C=C/C5=CC6=C(C=C5)C=C(C=C6)OC

DOS

IR

Vibrations