Geometry & MOs

Info

ID:

448227

PubChem CID:

135289440

Reduced:

FON8H23C27 (1)

Stoich.:

ABC8D23E27 (1)

Weight, g/mol:

542.254258

ΔHf, kcal/mol:

130.12

Dipole, Da:

7.0

IP(EA), eV:

 -8.62(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(4-methylpiperazin-1-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)F)OC

DOS

IR

Vibrations