Geometry & MOs

Info

ID:	304051
PubChem CID:	124491706
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	254.126657
ΔH_f, kcal/mol:	-95.87
Dipole, Da:	3.0
IP(EA), eV:	-9.29(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-3-[(2R)-oxan-2-yl]oxy-1H-pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=NN(C(=O)C2=CC=CC=C21)C(C)C)C(=O)O

DOS

IR

Vibrations