Geometry & MOs

Info

ID:

447904

PubChem CID:

135286696

Reduced:

N8H18C23 (1)

Stoich.:

A8B18C23 (1)

Weight, g/mol:

491.186987

ΔHf, kcal/mol:

214.14

Dipole, Da:

7.62

IP(EA), eV:

 -8.71(-2.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CN=CC=C6)/NN3

DOS

IR

Vibrations