Geometry & MOs

Info

ID:	304148
PubChem CID:	124497227
Reduced:	ON4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	4.16
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-yl]piperazine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C=O)C2=C(N=CC=C2)N3CCNCC3

DOS

IR

Vibrations