Geometry & MOs

Info

ID:	297488
PubChem CID:	117618875
Reduced:	FO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	731.432502
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	2.58
IP(EA), eV:	-9.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[4-[2-hydroxy-1,3-bis(2,4,6-trimethylphenyl)imidazol-3-ium-4-yl]phenyl]-2-methyl-1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2(CCCC2)C(=O)OC

DOS

IR

Vibrations