Geometry & MOs

Info

ID:

308686

PubChem CID:

126522382

Reduced:

FO2N7H24C29 (1)

Stoich.:

AB2C7D24E29 (1)

Weight, g/mol:

580.271051

ΔHf, kcal/mol:

77.76

Dipole, Da:

4.0

IP(EA), eV:

 -8.8(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2E)-2-[5-[5-[2-(dimethylamino)ethoxy]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CC=NC6=N5)C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations