Geometry & MOs

Info

ID:

432875

PubChem CID:

135173012

Reduced:

FOSN8H25C27 (1)

Stoich.:

ABCD8E25F27 (1)

Weight, g/mol:

530.266634

ΔHf, kcal/mol:

114.86

Dipole, Da:

6.2

IP(EA), eV:

 -8.68(-2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3Z)-4-fluoro-3-[7-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]amino]-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC(NC1=CN=CC(=C1)C2=NC=C3C(=C2F)/C(=C\4/N=C5C=NC=C(C5=N4)C6=CSC=C6)/NN3)O

DOS

IR

Vibrations