Geometry & MOs

Info

ID:	430671
PubChem CID:	135170737
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	456.241293
ΔH_f, kcal/mol:	-128.68
Dipole, Da:	3.31
IP(EA), eV:	-9.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-3-[4-(8-methylquinolin-7-yl)phenoxy]-9-azabicyclo[3.3.1]nonan-9-yl]-[(2R)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(N(C1=O)C)OC(=O)C(C)C

DOS

IR

Vibrations