Geometry & MOs

Info

ID:	443741
PubChem CID:	135259886
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-47.51
Dipole, Da:	6.21
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=CC=C2C3=COC=C3)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations