Geometry & MOs

Info

ID:	211605
PubChem CID:	81044540
Reduced:	ClOSN2C14H21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	266.235814
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	2.23
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-3-yl-1-(2-propan-2-ylpyrrolidin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)NCC1=CC=C(S1)Cl)C2CCCNC2

DOS

IR

Vibrations