Geometry & MOs

Info

ID:

449872

PubChem CID:

135302194

Reduced:

FN9C31H32 (1)

Stoich.:

AB9C31D32 (1)

Weight, g/mol:

603.287035

ΔHf, kcal/mol:

142.43

Dipole, Da:

6.27

IP(EA), eV:

 -8.59(-2.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)F)NCCN(C)C)N=C2

DOS

IR

Vibrations