Geometry & MOs

Info

ID:	140287
PubChem CID:	52676088
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	358.203862
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	1.83
IP(EA), eV:	-8.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylpiperazin-1-yl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)NC(=O)CN2CCC[C@@H](C2)N3CCCC3)C

DOS

IR

Vibrations