Geometry & MOs

Info

ID:	443731
PubChem CID:	135259867
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	305.210327
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	6.48
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3R,5S)-3,5-dimethyl-4-propylpiperazin-1-yl]methyl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](N1CC2=CC=C(C=C2)C(=O)O)C)C(=O)C3=CC=CC=C3C4=CCOCC4

DOS

IR

Vibrations