Geometry & MOs

Info

ID:

187260

PubChem CID:

77552004

Reduced:

NO4C38H52 (1)

Stoich.:

AB4C38D52 (1)

Weight, g/mol:

725.370783

ΔHf, kcal/mol:

-125.92

Dipole, Da:

2.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756866

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-ethenylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone;hydrochloride

Drug info:

PubChemData

Smile

CCCC(CCCCC[N+]1(C(C(C2C1OC(O2)(C)C)CC)O)C)OC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations