Geometry & MOs

Info

ID:	181847
PubChem CID:	76802577
Reduced:	N5O6C30H43 (1)
Stoich.:	A5B6C30D43 (1)
Weight, g/mol:	379.179501
ΔH_f, kcal/mol:	-269.37
Dipole, Da:	3.73
IP(EA), eV:	-8.85(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-fluoro-4-oxo-8-propoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC2CCC(N2C1=O)C(=O)NCC3=CC(=CC=C3)NC(=O)C=C)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations