Geometry & MOs

Info

ID:

444152

PubChem CID:

135261482

Reduced:

FO2N7H20C28 (1)

Stoich.:

AB2C7D20E28 (1)

Weight, g/mol:

503.186987

ΔHf, kcal/mol:

94.64

Dipole, Da:

4.65

IP(EA), eV:

 -8.76(-2.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC(=CC(=C7)F)O)/NN4

DOS

IR

Vibrations