Geometry & MOs

Info

ID:	390726
PubChem CID:	135000593
Reduced:	NO5H11C14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	436.052762
ΔH_f, kcal/mol:	-98.22
Dipole, Da:	4.43
IP(EA), eV:	-10.35(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoromethanesulfonate;1-[3,3,3-trifluoro-1-(2-nitrophenyl)prop-1-en-2-yl]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

CCOC(=O)C1=NOC2C1C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations