Geometry & MOs

Info

ID:

312722

PubChem CID:

126607585

Reduced:

NSO3C24H25 (1)

Stoich.:

ABC3D24E25 (1)

Weight, g/mol:

624.269668

ΔHf, kcal/mol:

-53.24

Dipole, Da:

5.64

IP(EA), eV:

 -8.19(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[6-[3-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methyl-5-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)N1C2=CC=CC=C2C=C(C1=S)C3=CC=C(C=C3)OCOC(=O)C=C

DOS

IR

Vibrations