Geometry & MOs

Info

ID:	182801
PubChem CID:	76939628
Reduced:	FNO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	4.08
IP(EA), eV:	-9.87(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-6-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

COCC1=CC(=O)C2=CC(C=CC2=N1)F

DOS

IR

Vibrations