Geometry & MOs

Info

ID:	388242
PubChem CID:	134988623
Reduced:	OC10H16 (1)
Stoich.:	AB10C16 (1)
Weight, g/mol:	279.084849
ΔH_f, kcal/mol:	-43.63
Dipole, Da:	3.81
IP(EA), eV:	-9.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-1-chloro-5,9b-dihydro-4H-azeto[2,1-a]isoquinoline-2-thione

Drug info:

PubChemData

Smile

C/C=C\1/C(=O)C(C1(C)C)(C)C

DOS

IR

Vibrations