Geometry & MOs

Info

ID:	337196
PubChem CID:	127256761
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	273.230394
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	6.44
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(2R)-2-(hydroxymethyl)nonyl]piperidine-3,4-diol

Drug info:

PubChemData

Smile

CCC(CC)C1=C(C(=C(C(=C1C)C)N)N)[N+](=O)[O-]

DOS

IR

Vibrations