Geometry & MOs

Info

ID:	132119
PubChem CID:	51310614
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-21.21
Dipole, Da:	1.38
IP(EA), eV:	-8.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(CCCNC(=O)CCC1=NC=C(O1)C2=CC=CC=C2Cl)C3=CC=CC=C3

DOS

IR

Vibrations