Geometry & MOs

Info

ID:

448112

PubChem CID:

135288549

Reduced:

ClO2N8C15H27 (1)

Stoich.:

AB2C8D15E27 (1)

Weight, g/mol:

564.262217

ΔHf, kcal/mol:

45.77

Dipole, Da:

7.44

IP(EA), eV:

 -9.3(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2Z)-2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CCCON(C(=N)N)N.CCCON(C(=N)N)/N=C/C1=CC=CC=C1Cl

DOS

IR

Vibrations