Geometry & MOs

Info

ID:

309974

PubChem CID:

126571821

Reduced:

OSF2N6H24C30 (1)

Stoich.:

ABC2D6E24F30 (1)

Weight, g/mol:

505.204865

ΔHf, kcal/mol:

53.62

Dipole, Da:

8.81

IP(EA), eV:

 -8.57(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-(5-methylthiophen-2-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-5-[5-(piperidin-1-ylmethyl)pyridin-3-yl]-1,2-dihydropyrazolo[4,3-b]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=N5)C6=CC=CC(=C6)CN7CCC(C7)(F)F)NN4)/C=C32

DOS

IR

Vibrations