Geometry & MOs

Info

ID:	37808
PubChem CID:	8024682
Reduced:	SN3O6C15H19 (1)
Stoich.:	AB3C6D15E19 (1)
Weight, g/mol:	337.147807
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	6.69
IP(EA), eV:	-9.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC(=C(C=C1)NCCCOCC2=CC=CO2)[N+](=O)[O-]

DOS

IR

Vibrations