Geometry & MOs

Info

ID:	43503
PubChem CID:	10321397
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	447.232205
ΔH_f, kcal/mol:	-188.94
Dipole, Da:	5.59
IP(EA), eV:	-9.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-fluorophenyl)phenyl]methyl]-4-hydroxy-2-(4-phenylpiperazin-1-yl)butanamide

Drug info:

PubChemData

Smile

C1CC2(CCC1CNCC(=O)O)OC3(C4CC5CC(C4)CC3C5)OO2

DOS

IR

Vibrations