Geometry & MOs

Info

ID:	211544
PubChem CID:	81044352
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-39.62
Dipole, Da:	5.77
IP(EA), eV:	-8.99(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)NCC#N)C1CCCNC1

DOS

IR

Vibrations