Geometry & MOs

Info

ID:	167292
PubChem CID:	74804496
Reduced:	FN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	431.233268
ΔH_f, kcal/mol:	-134.63
Dipole, Da:	3.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.975068
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidine-1-carbonyl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1CCCC[NH+]1CC2=C(OC(=N2)C3=CC=CC=C3F)C

DOS

IR

Vibrations