Geometry & MOs

Info

ID:	178952
PubChem CID:	76407026
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	316.160935
ΔH_f, kcal/mol:	34.46
Dipole, Da:	3.32
IP(EA), eV:	-8.8(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=NN1C)NC(=O)C2CNNC2C3=CC=CC=C3

DOS

IR

Vibrations