Geometry & MOs

Info

ID:

444151

PubChem CID:

135261477

Reduced:

FSN6H19C22 (1)

Stoich.:

ABC6D19E22 (1)

Weight, g/mol:

505.166251

ΔHf, kcal/mol:

126.73

Dipole, Da:

4.46

IP(EA), eV:

 -8.56(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCC1C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations