Geometry & MOs

Info

ID:

309682

PubChem CID:

126554407

Reduced:

FO2N5H28C35 (1)

Stoich.:

AB2C5D28E35 (1)

Weight, g/mol:

558.217952

ΔHf, kcal/mol:

79.27

Dipole, Da:

5.29

IP(EA), eV:

 -8.16(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methoxyphenyl)cyclohepta[b]pyrrol-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC1=N/C(=C\2/C3=CC(=NC=C3NN2)C4=CC(=CC=C4)NC(=O)C5=CC=CC=C5)/C=C1/C(=C\C=C)/C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations