Geometry & MOs

Info

ID:	43219
PubChem CID:	10319782
Reduced:	NO2Cl4H13C18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	417.216064
ΔH_f, kcal/mol:	-55.93
Dipole, Da:	0.97
IP(EA), eV:	-9.28(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecyl-1-methylpyrrolidin-1-ium-3-one;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCCN2C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations