Geometry & MOs

Info

ID:	372242
PubChem CID:	131294636
Reduced:	NF2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	213.063722
ΔH_f, kcal/mol:	-190.97
Dipole, Da:	2.52
IP(EA), eV:	-9.13(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-oxo-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-7-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1[C@@H](C(CO)(F)F)N)C)O

DOS

IR

Vibrations