Geometry & MOs

Info

ID:	393693
PubChem CID:	135021483
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	337.131408
ΔH_f, kcal/mol:	-117.59
Dipole, Da:	7.19
IP(EA), eV:	-8.54(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,6S,11bR)-4-oxo-2-phenyl-2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinoline-6-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@H]3C[C@H](OC(=O)N3CCC2=C1)C4=CC=CC=C4)OC

DOS

IR

Vibrations