Geometry & MOs

Info

ID:	46272
PubChem CID:	10523627
Reduced:	NSF3O7C12H18 (1)
Stoich.:	ABC3D7E12F18 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-470.23
Dipole, Da:	1.41
IP(EA), eV:	-10.1(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-butyl-3,9-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinolin-12-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)OC)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations