Geometry & MOs

Info

ID:	380665
PubChem CID:	134971185
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	0.28
Dipole, Da:	3.03
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,4R,7aS)-4-ethoxy-2,3,7-triphenyl-3,3a,4,7a-tetrahydro-[1,2]oxazolo[5,4-d]oxazine

Drug info:

PubChemData

Smile

CCO[C@H]1[C@H]2[C@@H]([C@@H](NO1)C3=CC=CC=C3)ON=C2C4=CC=CC=C4

DOS

IR

Vibrations