Geometry & MOs

Info

ID:

448204

PubChem CID:

135289239

Reduced:

OSN6H24C28 (1)

Stoich.:

ABC6D24E28 (1)

Weight, g/mol:

450.166505

ΔHf, kcal/mol:

140.83

Dipole, Da:

11.88

IP(EA), eV:

 -8.34(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[6-[(3Z)-3-[7-(furan-3-yl)imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyrazin-2-yl]azetidin-3-amine

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CSC=C6

DOS

IR

Vibrations