Geometry & MOs

Info

ID:	137659
PubChem CID:	52242281
Reduced:	FN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	373.18017
ΔH_f, kcal/mol:	-92.58
Dipole, Da:	0.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824684
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-fluorophenyl)methyl-methylamino]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)[NH+](C)CC3=CC=C(C=C3)F

DOS

IR

Vibrations