Geometry & MOs

Info

ID:	405750
PubChem CID:	135075296
Reduced:	NaSO4C7H11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	403.193614
ΔH_f, kcal/mol:	-200.88
Dipole, Da:	10.25
IP(EA), eV:	-10.37(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(2S,5S)-2,5-diphenylpyrrolidin-1-yl]-3-naphthalen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCC#C[C@H](CC)OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations