Geometry & MOs

Info

ID:	212458
PubChem CID:	81060591
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-51.92
Dipole, Da:	3.13
IP(EA), eV:	-9.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-carbamoyl-2,6-dimethylpyridin-4-yl)amino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N2CCCC2(C)C(=O)O

DOS

IR

Vibrations