Geometry & MOs

Info

ID:	159965
PubChem CID:	57304206
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	2.62
IP(EA), eV:	-8.41(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[(1R,2R,3S)-8-methyl-3-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCCN2C(=CC=C2O)O)CCC=O

DOS

IR

Vibrations