Geometry & MOs

Info

ID:	13194
PubChem CID:	222920
Reduced:	SN2O3C28H32 (1)
Stoich.:	AB2C3D28E32 (1)
Weight, g/mol:	476.213364
ΔH_f, kcal/mol:	-51.1
Dipole, Da:	4.39
IP(EA), eV:	-8.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-diphenyl-4-pyrrolidin-1-ylpentanenitrile;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3

DOS

IR

Vibrations