Geometry & MOs

Info

ID:	222515
PubChem CID:	85301151
Reduced:	O5C22H24 (1)
Stoich.:	A5B22C24 (1)
Weight, g/mol:	377.10038
ΔH_f, kcal/mol:	-164.92
Dipole, Da:	3.06
IP(EA), eV:	-9.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-6-phenyl-7-(trifluoromethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl]phosphonic acid

Drug info:

PubChemData

Smile

CCC(=CC1=CC(=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations