Geometry & MOs

Info

ID:	229296
PubChem CID:	87567352
Reduced:	NOC24H29 (1)
Stoich.:	ABC24D29 (1)
Weight, g/mol:	311.246044
ΔH_f, kcal/mol:	18.0
Dipole, Da:	3.34
IP(EA), eV:	-8.88(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(hydroxymethyl)piperidin-1-yl]dodecane-1,3-dione

Drug info:

PubChemData

Smile

C/C(=C\CCC=O)/CC1=CC=C(C=C1)C2=CC=C(C=C2)CNCCC=C

DOS

IR

Vibrations