Geometry & MOs

Info

ID:

444094

PubChem CID:

135261310

Reduced:

O2N7H25C29 (1)

Stoich.:

A2B7C25D29 (1)

Weight, g/mol:

452.207307

ΔHf, kcal/mol:

117.52

Dipole, Da:

9.65

IP(EA), eV:

 -8.54(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=COC=C7)/NN4

DOS

IR

Vibrations