Geometry & MOs

Info

ID:	211472
PubChem CID:	81044004
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-126.77
Dipole, Da:	3.12
IP(EA), eV:	-8.84(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCCC(C1)O)C2CCCNC2

DOS

IR

Vibrations