Geometry & MOs

Info

ID:	263774
PubChem CID:	103397126
Reduced:	FNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	291.163457
ΔH_f, kcal/mol:	-141.14
Dipole, Da:	5.06
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl-(2-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C2(CCOC2)N)F

DOS

IR

Vibrations