Geometry & MOs

Info

ID:

444128

PubChem CID:

135261425

Reduced:

FON7C30H30 (1)

Stoich.:

ABC7D30E30 (1)

Weight, g/mol:

523.213201

ΔHf, kcal/mol:

93.59

Dipole, Da:

4.78

IP(EA), eV:

 -8.57(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-(5-methoxypyridin-3-yl)-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CC(=CC(=C2)C3=NC=CC4=N/C(=C\5/C6=CC(=NC=C6NN5)C7=CCNCC7)/C=C43)F

DOS

IR

Vibrations