Geometry & MOs

Info

ID:

308886

PubChem CID:

126531778

Reduced:

FN7H22C27 (1)

Stoich.:

AB7C22D27 (1)

Weight, g/mol:

517.239022

ΔHf, kcal/mol:

173.74

Dipole, Da:

8.24

IP(EA), eV:

 -8.54(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=CN=C1)C2=NC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=C6F

DOS

IR

Vibrations