Geometry & MOs

Info

ID:

334201

PubChem CID:

127252753

Reduced:

ClN4O7H23C27 (1)

Stoich.:

AB4C7D23E27 (1)

Weight, g/mol:

490.150679

ΔHf, kcal/mol:

-143.59

Dipole, Da:

4.16

IP(EA), eV:

 -9.01(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-4,5-dimethylimidazol-1-ium-2-yl]-3-(3,4-dimethoxyphenyl)propanoic acid;chloride

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N3C(=N2)N=CN3)C4=CC=C(C=C4)C(=O)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations