Geometry & MOs

Info

ID:

431410

PubChem CID:

135171485

Reduced:

N2O2H38C51 (1)

Stoich.:

A2B2C38D51 (1)

Weight, g/mol:

370.00991

ΔHf, kcal/mol:

124.45

Dipole, Da:

2.37

IP(EA), eV:

 -7.72(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-(4-bromo-2-methoxyimidazol-1-yl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC)C4=C(C=CC=C42)C5=CC=CC=C5C6=CC=CC=C6C7=C8C(=CC=C7)N(C9=C8C=C(C=C9)OC)C1=CC=CC=C1

DOS

IR

Vibrations