Geometry & MOs

Info

ID:

297486

PubChem CID:

117618866

Reduced:

OF2N2H29C35 (1)

Stoich.:

AB2C2D29E35 (1)

Weight, g/mol:

481.296737

ΔHf, kcal/mol:

56.25

Dipole, Da:

3.67

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.810315

Charge, e:

 1

Chem-info

IUPAC name:

1-[4-[(Z)-2-amino-1-[(4-ethenylphenyl)methylamino]ethenyl]-2,6-dimethylphenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-3-ium-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2CC[N+](=C2O)C3=C(C=C(C=C3C)C#CC4=CC=C(C=C4)F)C)C)C#CC5=CC=C(C=C5)F

DOS

IR

Vibrations