Geometry & MOs

Info

ID:	243529
PubChem CID:	99226387
Reduced:	FN4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	404.258754
ΔH_f, kcal/mol:	-110.8
Dipole, Da:	6.74
IP(EA), eV:	-9.17(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(dimethylamino)-3-fluorobenzoyl]piperazin-1-yl]-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NNC(=O)C1=CC=C(NC1=O)C2=CC=CC=N2)OC3=CC=CC=C3F

DOS

IR

Vibrations