Geometry & MOs

Info

ID:	82758
PubChem CID:	49856469
Reduced:	N3O3C27H41 (1)
Stoich.:	A3B3C27D41 (1)
Weight, g/mol:	439.263506
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	5.25
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C(=O)CN3CCN(CC3)C(=O)C4CCCCC4

DOS

IR

Vibrations