Geometry & MOs

Info

ID:

310210

PubChem CID:

126576803

Reduced:

N2O2C17H21 (2)

Stoich.:

A2B2C17D21 (2)

Weight, g/mol:

516.169448

ΔHf, kcal/mol:

-125.83

Dipole, Da:

5.48

IP(EA), eV:

 -8.58(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4-[2-[(1S,3R)-3-methylcyclopentyl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=C2C3CCC(C3)C2=C(C=C1)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6C[C@@H](CN6C(=O)[C@H](C(C)C)NC(=O)OC)COC

DOS

IR

Vibrations