Geometry & MOs

Info

ID:	389089
PubChem CID:	134991120
Reduced:	P2C49H52 (1)
Stoich.:	A2B49C52 (1)
Weight, g/mol:	387.111599
ΔH_f, kcal/mol:	56.42
Dipole, Da:	3.47
IP(EA), eV:	-7.91(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-naphthalen-2-ylpropylidene]pyrrolidin-1-ium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)P(C2=CC(=CC(=C2)C)C)C3=C4CCC5=CC(=C(CCC(=C3)C=C4)C=C5)P(C6=CC(=CC(=C6)C)C)C7=CC(=C(C(=C7)C)C)C)C

DOS

IR

Vibrations