Geometry & MOs

Info

ID:	139241
PubChem CID:	52497483
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	5.45
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aR,8aS)-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

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)NC(=O)N3CCC[C@@H]3C4=CC(=NO4)C)C

DOS

IR

Vibrations