Geometry & MOs

Info

ID:	222342
PubChem CID:	85297074
Reduced:	SeO2C21H28 (1)
Stoich.:	AB2C21D28 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	2.77
IP(EA), eV:	-8.54(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-nitro-5-phenyl-4,5,5a,6,10b,11-hexahydro-1H-oxazino[4,5-b]carbazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCC2C1(CC(C2)(C(=O)OCC=C)[Se]C3=CC=CC=C3)C

DOS

IR

Vibrations