Geometry & MOs

Info

ID:

443877

PubChem CID:

135260255

Reduced:

FO2N8C37H37 (1)

Stoich.:

AB2C8D37E37 (1)

Weight, g/mol:

612.276136

ΔHf, kcal/mol:

62.49

Dipole, Da:

6.51

IP(EA), eV:

 -8.66(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC\4=C(C=C3)NN/C4=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)OCCN8CCCC8

DOS

IR

Vibrations