Geometry & MOs

Info

ID:	394290
PubChem CID:	135022685
Reduced:	NF3H6C11 (2)
Stoich.:	AB3C6D11 (2)
Weight, g/mol:	455.1919
ΔH_f, kcal/mol:	-214.27
Dipole, Da:	5.48
IP(EA), eV:	-9.69(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2-naphthalen-2-ylpyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations