Geometry & MOs

Info

ID:

335659

PubChem CID:

127254521

Reduced:

N5O5H21C23 (1)

Stoich.:

A5B5C21D23 (1)

Weight, g/mol:

460.247441

ΔHf, kcal/mol:

-87.6

Dipole, Da:

4.73

IP(EA), eV:

 -8.49(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-methyl-10-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC(=O)CN2C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations