Geometry & MOs

Info

ID:	187476
PubChem CID:	77577392
Reduced:	ClSN4O4C20H27 (1)
Stoich.:	ABC4D4E20F27 (1)
Weight, g/mol:	259.112777
ΔH_f, kcal/mol:	-148.64
Dipole, Da:	4.81
IP(EA), eV:	-8.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-naphthalen-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)S(=O)(=O)N2C=CNC(=O)C2CC(=O)N3CCC(C3)N(C)C

DOS

IR

Vibrations