Geometry & MOs

Info

ID:

309685

PubChem CID:

126554419

Reduced:

N9C26H29 (1)

Stoich.:

A9B26C29 (1)

Weight, g/mol:

421.170274

ΔHf, kcal/mol:

179.79

Dipole, Da:

7.3

IP(EA), eV:

 -8.15(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)pyrazolidin-3-ylidene]-4-(2-fluorophenyl)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C/4\C=C5C(=CN=CC5=N4)N6CCN(CC6)C)/NN3

DOS

IR

Vibrations