Geometry & MOs

Info

ID:	246525
PubChem CID:	103061117
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	1.39
IP(EA), eV:	-8.62(2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1CCCN1CC2COCCC2O

DOS

IR

Vibrations