Geometry & MOs

Info

ID:	46051
PubChem CID:	10520798
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	33.79
Dipole, Da:	2.69
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S,3S,5S)-3-(4-ethylnaphthalen-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)NC3=CC(=CC=C3)OC)C)C

DOS

IR

Vibrations