Geometry & MOs

Info

ID:

223647

PubChem CID:

85335363

Reduced:

FN4O4H21C26 (1)

Stoich.:

AB4C4D21E26 (1)

Weight, g/mol:

480.248504

ΔHf, kcal/mol:

-46.59

Dipole, Da:

4.05

IP(EA), eV:

 -9.38(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(1H-imidazol-5-yl)ethyl]-3-[7-(2-methoxyethoxy)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-ylidene]-2-oxo-1H-indole-5-carboxamide

Drug info:

PubChemData

Smile

C1C(C1(C2=CC(=C(C=C2)OCC3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5)F)C(=O)N)C(=O)NO

DOS

IR

Vibrations