Geometry & MOs

Info

ID:	443718
PubChem CID:	135259840
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-52.02
Dipole, Da:	6.49
IP(EA), eV:	-8.97(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)CC3=CC=CC=C3C4=COC=C4

DOS

IR

Vibrations