Geometry & MOs

Info

ID:	216611
PubChem CID:	85086496
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	285.209264
ΔH_f, kcal/mol:	17.11
Dipole, Da:	5.35
IP(EA), eV:	-8.69(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SCC=CC=CC(=O)NO

DOS

IR

Vibrations