Geometry & MOs

Info

ID:	176830
PubChem CID:	76104057
Reduced:	Cl2N4O5C33H44 (1)
Stoich.:	A2B4C5D33E44 (1)
Weight, g/mol:	367.158372
ΔH_f, kcal/mol:	-162.41
Dipole, Da:	6.03
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 6-fluoro-2-oxo-3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1OC)C(=O)N(C)CC(=NOC)C(CCN2CCC(CC2)N3CCCCC3=O)C4=CC(=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations