Geometry & MOs

Info

ID:	380664
PubChem CID:	134971184
Reduced:	O2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	9.96
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7S,7aS)-4-ethoxy-3,7-diphenyl-4,6,7,7a-tetrahydro-3aH-[1,2]oxazolo[5,4-d]oxazine

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)N(C)C)C(=[N+]1C)C(=O)[O-]

DOS

IR

Vibrations