Geometry & MOs

Info

ID:

232465

PubChem CID:

87576242

Reduced:

LiO2C10H13 (1)

Stoich.:

AB2C10D13 (1)

Weight, g/mol:

885.339858

ΔHf, kcal/mol:

-50.84

Dipole, Da:

7.11

IP(EA), eV:

-7.62(1.46)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[(dimethylamino)methyl]-1H-benzimidazol-2-yl]-(2-isoquinolin-4-ylpyridin-4-yl)methanone;[2-(2-fluoro-6-methoxyphenyl)-1-oxidopyridin-1-ium-4-yl]-[6-[(4-oxidomorpholin-4-ium-4-yl)methyl]-1H-benzimidazol-2-yl]methanone

Drug info:

PubChemData

Smile

[Li+].CCOC1=CC(=[C-]C=C1)OCC

DOS

IR

Vibrations