Geometry & MOs

Info

ID:	304149
PubChem CID:	124497248
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	288.231397
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	6.59
IP(EA), eV:	-8.53(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2S)-1-propan-2-ylpiperidin-2-yl]pyridin-2-yl]piperazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C3=C(N=CC=C3)N4CCNCC4

DOS

IR

Vibrations