Geometry & MOs

Info

ID:

184685

PubChem CID:

77192921

Reduced:

NOC40H41 (1)

Stoich.:

ABC40D41 (1)

Weight, g/mol:

894.479232

ΔHf, kcal/mol:

65.85

Dipole, Da:

1.79

IP(EA), eV:

 -7.92(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-1-[2-[5-[4-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-2-(2-methoxyethoxy)phenyl]-3-(2-methoxyethoxy)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CCCC(C)(CC)C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations