Geometry & MOs

Info

ID:

444184

PubChem CID:

135261606

Reduced:

ON8H24C28 (1)

Stoich.:

AB8C24D28 (1)

Weight, g/mol:

590.291786

ΔHf, kcal/mol:

161.04

Dipole, Da:

12.1

IP(EA), eV:

 -8.67(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=N4)C=CN=C5C6=CN=CC=C6)/NN3

DOS

IR

Vibrations