Geometry & MOs

Info

ID:	253250
PubChem CID:	103117076
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	253.106256
ΔH_f, kcal/mol:	-54.73
Dipole, Da:	5.5
IP(EA), eV:	-9.81(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazole-3-carbonyl)amino]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)(CC(=O)O)CNC(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations