Geometry & MOs

Info

ID:	130422
PubChem CID:	51075897
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	32.86
Dipole, Da:	1.24
IP(EA), eV:	-9.35(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN(CC2=CC=CC=C2)CC3=CC=CO3

DOS

IR

Vibrations