Geometry & MOs

Info

ID:

448196

PubChem CID:

135289167

Reduced:

FO2N6H23C33 (1)

Stoich.:

AB2C6D23E33 (1)

Weight, g/mol:

590.291786

ΔHf, kcal/mol:

82.1

Dipole, Da:

4.66

IP(EA), eV:

 -8.56(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)O

DOS

IR

Vibrations