Geometry & MOs

Info

ID:

448191

PubChem CID:

135289134

Reduced:

FO2N7C37H38 (1)

Stoich.:

AB2C7D37E38 (1)

Weight, g/mol:

492.207388

ΔHf, kcal/mol:

59.09

Dipole, Da:

11.47

IP(EA), eV:

 -8.41(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-(5-pyridin-4-yl-1,2-dihydroindazol-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=C(C=CC(=C6)C7=CC(=CN=C7)OCCN8CCCC8)NN5)/C=C43)F

DOS

IR

Vibrations