Geometry & MOs

Info

ID:	397900
PubChem CID:	135030928
Reduced:	O17C27H42 (1)
Stoich.:	A17B27C42 (1)
Weight, g/mol:	227.055798
ΔH_f, kcal/mol:	-739.4
Dipole, Da:	6.84
IP(EA), eV:	-8.33(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-7-(trifluoromethyl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@H](C(O1)OC2[C@@H](C(O[C@H](C2O)OCCC3=CC(=C(C=C3)OC)O)CO[C@H]4C(C([C@@H](C(O4)CO)O)O)O)O)O)O)O

DOS

IR

Vibrations