Geometry & MOs

Info

ID:

447907

PubChem CID:

135286723

Reduced:

SN7H23C30 (1)

Stoich.:

AB7C23D30 (1)

Weight, g/mol:

503.186987

ΔHf, kcal/mol:

243.62

Dipole, Da:

3.84

IP(EA), eV:

 -8.82(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(4-fluorophenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclobutanecarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CC=CS7)/NN4

DOS

IR

Vibrations