Geometry & MOs

Info

ID:	407500
PubChem CID:	135080245
Reduced:	BNOF3C7H16 (1)
Stoich.:	ABCD3E7F16 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-342.92
Dipole, Da:	8.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763986
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one

Drug info:

PubChemData

Smile

[B-](NC(C)CCC(C)(C)O)(F)(F)F

DOS

IR

Vibrations