Geometry & MOs

Info

ID:	137776
PubChem CID:	52259487
Reduced:	BrFN2O4H14C16 (1)
Stoich.:	ABC2D4E14F16 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-84.21
Dipole, Da:	3.97
IP(EA), eV:	-9.86(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methyl-3-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations