Geometry & MOs

Info

ID:

449912

PubChem CID:

135302487

Reduced:

ON5C30H41 (1)

Stoich.:

AB5C30D41 (1)

Weight, g/mol:

594.297934

ΔHf, kcal/mol:

2.92

Dipole, Da:

7.29

IP(EA), eV:

 -8.45(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[(3E)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]amino]-2,2-dimethylpropan-1-ol

Drug info:

PubChemData

Smile

CC(C)CC1CCC(CC1)C(=O)NC2=NC=C3C=CC(=CC3=C2)C4=C(N(N=C4)C)CN5CCCCC5

DOS

IR

Vibrations