Geometry & MOs

Info

ID:	73933
PubChem CID:	48421181
Reduced:	FN2O4H13C16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-95.28
Dipole, Da:	4.29
IP(EA), eV:	-8.65(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)OCC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations