Geometry & MOs

Info

ID:

449490

PubChem CID:

135299053

Reduced:

FON9H28C31 (1)

Stoich.:

ABC9D28E31 (1)

Weight, g/mol:

508.213536

ΔHf, kcal/mol:

120.84

Dipole, Da:

9.43

IP(EA), eV:

 -8.59(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(3E)-3-[4-(3-fluoro-5-methylphenyl)imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC(=CN=C6)NC(=O)CC7CCNCC7)NN4)/N=C32

DOS

IR

Vibrations