Geometry & MOs

Info

ID:

444181

PubChem CID:

135261601

Reduced:

ON10C27H30 (1)

Stoich.:

AB10C27D30 (1)

Weight, g/mol:

494.197886

ΔHf, kcal/mol:

146.43

Dipole, Da:

8.82

IP(EA), eV:

 -8.11(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-(5-pyrazin-2-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

CN1CCN(CC1)C2=NC=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(=O)CN(C)C)/C=C32

DOS

IR

Vibrations