Geometry & MOs

Info

ID:	443720
PubChem CID:	135259847
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	364.215078
ΔH_f, kcal/mol:	-1.66
Dipole, Da:	1.48
IP(EA), eV:	-8.61(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[[(2S,6R)-4-benzyl-2,6-dimethylpiperazin-1-yl]methyl]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)CN3CCOCC3)C)CC4=CC=CC=C4

DOS

IR

Vibrations