Geometry & MOs

Info

ID:	231463
PubChem CID:	87573790
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	535.218426
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	3.04
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-[[tert-butyl(phenyl)phosphanyl]methyl]-3-(2,4,6-trimethylphenyl)imidazol-1-ium-2-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C#C)N2CCC3(CC2)OCCO3

DOS

IR

Vibrations