Geometry & MOs

Info

ID:	138935
PubChem CID:	52446144
Reduced:	OSN3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-28.27
Dipole, Da:	1.35
IP(EA), eV:	-8.81(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCCCS[C@@H](C)C(=O)N[C@@H](C)C1=NC2=CC=CC=C2N1

DOS

IR

Vibrations