Geometry & MOs

Info

ID:

448235

PubChem CID:

135289500

Reduced:

F2N9H21C27 (1)

Stoich.:

A2B9C21D27 (1)

Weight, g/mol:

493.202637

ΔHf, kcal/mol:

135.56

Dipole, Da:

8.84

IP(EA), eV:

 -8.69(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC1(F)F)CC2=CC(=CN=C2)C3=NC\4=C(C=C3)NN/C4=C\5/N=C6C(=CC=NC6=N5)C7=CN=CC=C7

DOS

IR

Vibrations