Geometry & MOs

Info

ID:	139243
PubChem CID:	52497589
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	5.41
IP(EA), eV:	-9.47(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@@H](C1)CCCN2C(=O)CCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations