Geometry & MOs

Info

ID:

296791

PubChem CID:

117593338

Reduced:

O3C14H16 (3)

Stoich.:

A3B14C16 (3)

Weight, g/mol:

754.276942

ΔHf, kcal/mol:

-222.9

Dipole, Da:

4.96

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

but-2-enedioic acid;2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(O1)C(=C(C=C2O)OC)CC=C(C)C.CC1(C(=O)C=CC2(C1=C(C(=O)C3(C2CCC4(C35C(O5)CC4C6=COC=C6)C)C)O)C)C

DOS

IR

Vibrations