Geometry & MOs

Info

ID:	399122
PubChem CID:	135037998
Reduced:	O4C11H12 (1)
Stoich.:	A4B11C12 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-148.87
Dipole, Da:	3.89
IP(EA), eV:	-9.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-3-(2-methylphenyl)-6-oxo-2H-1,3-oxazine-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](C(=O)O[C@H]1[C@@H](C2=CC=CC=C2)O)O

DOS

IR

Vibrations