Geometry & MOs

Info

ID:

444118

PubChem CID:

135261352

Reduced:

FON7H22C29 (1)

Stoich.:

ABC7D22E29 (1)

Weight, g/mol:

539.186987

ΔHf, kcal/mol:

125.95

Dipole, Da:

9.76

IP(EA), eV:

 -8.65(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=C(C=C7)F)/NN4

DOS

IR

Vibrations