Geometry & MOs

Info

ID:

447882

PubChem CID:

135286535

Reduced:

ClF2O2N5H22C25 (1)

Stoich.:

AB2C2D5E22F25 (1)

Weight, g/mol:

590.291786

ΔHf, kcal/mol:

-93.66

Dipole, Da:

3.61

IP(EA), eV:

 -9.24(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)C(=O)N)F)NC2=C(C=NC3=CC(=C(C=C32)C4=CN=C(N=C4)C(C)(C)O)F)Cl

DOS

IR

Vibrations