Geometry & MOs

Info

ID:	165821
PubChem CID:	74601267
Reduced:	N5O5C24H36 (1)
Stoich.:	A5B5C24D36 (1)
Weight, g/mol:	163.084458
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	6.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755615
Charge, e:	0

Chem-info

IUPAC name:

2-methoxypiperidine-3,4,5-triol

Drug info:

PubChemData

Smile

CCOC(=O)C[NH2+]C(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C=NNO

DOS

IR

Vibrations