Geometry & MOs

Info

ID:	443737
PubChem CID:	135259879
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	464.278741
ΔH_f, kcal/mol:	-51.98
Dipole, Da:	6.45
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-3,5-dimethyl-4-[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]piperazin-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)CC3=CC=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations