Geometry & MOs

Info

ID:	443803
PubChem CID:	135260027
Reduced:	FO2N3C26H34 (1)
Stoich.:	AB2C3D26E34 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-97.99
Dipole, Da:	7.72
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)CN3CC[C@H](C3)F)C)CC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations