Geometry & MOs

Info

ID:

444173

PubChem CID:

135261568

Reduced:

OSN7H27C30 (1)

Stoich.:

ABC7D27E30 (1)

Weight, g/mol:

605.291452

ΔHf, kcal/mol:

147.72

Dipole, Da:

5.98

IP(EA), eV:

 -8.46(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]indol-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

C1CNCCC1CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=CC=CS7)N=C3

DOS

IR

Vibrations