Geometry & MOs

Info

ID:	393692
PubChem CID:	135021482
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	5.37
IP(EA), eV:	-8.96(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,11bR)-9,10-dimethoxy-2-phenyl-2,6,7,11b-tetrahydro-1H-[1,3]oxazino[4,3-a]isoquinolin-4-one

Drug info:

PubChemData

Smile

C1CN2[C@H](C[C@H](OC2=O)C3=CC=CC=C3)C4=CC5=C(C=C41)OCO5

DOS

IR

Vibrations