Geometry & MOs

Info

ID:	54917
PubChem CID:	17389537
Reduced:	NSO3C19H25 (1)
Stoich.:	ABC3D19E25 (1)
Weight, g/mol:	163.112777
ΔH_f, kcal/mol:	-102.45
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylpyrrolidine;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2OC)C(C)C

DOS

IR

Vibrations