Geometry & MOs

Info

ID:	443778
PubChem CID:	135259978
Reduced:	FN3O3C31H44 (1)
Stoich.:	AB3C3D31E44 (1)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-163.02
Dipole, Da:	7.2
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3R,5S)-4-benzyl-3,5-dimethylpiperazine-1-carbonyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC(=CC=C2)OCC3CCN(CC3)CC(C)(C)F)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations