Geometry & MOs

Info

ID:	299828
PubChem CID:	117695792
Reduced:	N2O4C23H36 (1)
Stoich.:	A2B4C23D36 (1)
Weight, g/mol:	269.066363
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	5.01
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-(trifluoromethyl)quinolin-4-yl]oxypropan-2-one

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1C)C(=O)NCC2(CCOCC2)N3CCOCC3)C

DOS

IR

Vibrations