Geometry & MOs

Info

ID:	128105
PubChem CID:	51031316
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	497.229012
ΔH_f, kcal/mol:	-89.11
Dipole, Da:	7.62
IP(EA), eV:	-9.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]-4-hydroxybutanamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O)N3CCOCC3

DOS

IR

Vibrations