Geometry & MOs

Info

ID:

125886

PubChem CID:

50942079

Reduced:

BrN2O4H35C39 (1)

Stoich.:

AB2C4D35E39 (1)

Weight, g/mol:

675.18585

ΔHf, kcal/mol:

-11.96

Dipole, Da:

15.16

IP(EA), eV:

 -8.68(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

1-benzyl-4-(3-bromophenyl)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-4H-imidazol-3-ium-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C([N+](=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)OC)CC5=CC=C(C=C5)OC)C6=CC(=CC=C6)Br)C(=O)[O-]

DOS

IR

Vibrations