Geometry & MOs

Info

ID:	254218
PubChem CID:	103123474
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	295.128054
ΔH_f, kcal/mol:	71.23
Dipole, Da:	4.69
IP(EA), eV:	-8.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-oxo-1,3-oxazolidin-5-yl)methyl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1NCCCC2=NC=C(O2)C3=C4C=CC=CN4N=C3

DOS

IR

Vibrations