Geometry & MOs

Info

ID:	390845
PubChem CID:	135001228
Reduced:	OC6H6 (2)
Stoich.:	AB6C6 (2)
Weight, g/mol:	379.06867
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.52
IP(EA), eV:	-9.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

Se-methyl (10bR)-8,9-diacetyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline-5-carboselenoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H]2[C@@H]3[C@H]2C(=O)OC3

DOS

IR

Vibrations