Geometry & MOs

Info

ID:	340651
PubChem CID:	127262662
Reduced:	OPN2F6C18H27 (1)
Stoich.:	ABC2D6E18F27 (1)
Weight, g/mol:	322.181191
ΔH_f, kcal/mol:	-474.16
Dipole, Da:	3.9
IP(EA), eV:	-9.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]pentan-1-ol;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)[C@@H](CC(C)C)CO)C.F[P-](F)(F)(F)(F)F

DOS

IR

Vibrations