Geometry & MOs

Info

ID:	277560
PubChem CID:	103829467
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	302.202799
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	2.8
IP(EA), eV:	-9.35(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3,3-dimethylbutylsulfonyl)pyrrolidin-2-yl]piperidine

Drug info:

PubChemData

Smile

CCCCC(CCC)NC(=O)C1CC2=CC=CC=C2CN1

DOS

IR

Vibrations