Geometry & MOs

Info

ID:	184832
PubChem CID:	77216476
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	365.200237
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	9.83
IP(EA), eV:	-9.15(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-5-fluoro-8-propoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CNC(=O)CC1C(CCO)NC(=O)C2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)F

DOS

IR

Vibrations