Geometry & MOs

Info

ID:

449488

PubChem CID:

135299041

Reduced:

F3N8H23C29 (1)

Stoich.:

A3B8C23D29 (1)

Weight, g/mol:

532.249921

ΔHf, kcal/mol:

63.47

Dipole, Da:

7.96

IP(EA), eV:

 -8.72(-2.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CN=CC(=C6)CN7CCC(C7)(F)F)NN4)/N=C32

DOS

IR

Vibrations