Geometry & MOs

Info

ID:	404498
PubChem CID:	135066557
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	505.075803
ΔH_f, kcal/mol:	-68.63
Dipole, Da:	3.19
IP(EA), eV:	-8.75(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(E)-2-naphthalen-1-ylethenyl]-1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)pyrrolidine

Drug info:

PubChemData

Smile

CCOC(=O)CCC(C)N1C=CC=C1CCC#N

DOS

IR

Vibrations