Geometry & MOs

Info

ID:	237046
PubChem CID:	92717059
Reduced:	N2O5H22C24 (1)
Stoich.:	A2B5C22D24 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	4.48
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 2-ethoxypyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)OCC(=O)N2[C@H](COC3=CC=CC=C32)C4=CC=CC=C4

DOS

IR

Vibrations