Geometry & MOs

Info

ID:

168992

PubChem CID:

75051942

Reduced:

O14C37H48 (1)

Stoich.:

A14B37C48 (1)

Weight, g/mol:

412.369173

ΔHf, kcal/mol:

-614.26

Dipole, Da:

6.88

IP(EA), eV:

 -9.57(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

7-[2-(1-adamantyl)ethyl]-3-cyclohexyl-6-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-imidazo[1,2-a]imidazol-4-ium

Drug info:

PubChemData

Smile

CC1=C2C(C(C3(C(CC(C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C4=CC=CC=C4)(CO)O)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations