Geometry & MOs

Info

ID:

444135

PubChem CID:

135261438

Reduced:

FON7H20C27 (1)

Stoich.:

ABC7D20E27 (1)

Weight, g/mol:

534.195029

ΔHf, kcal/mol:

114.23

Dipole, Da:

9.05

IP(EA), eV:

 -8.59(-2.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CC=CC=C6F)/NN3

DOS

IR

Vibrations