Geometry & MOs

Info

ID:	141407
PubChem CID:	52874134
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	6.58
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2OCCO2)CC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4Cl

DOS

IR

Vibrations