Geometry & MOs

Info

ID:	421815
PubChem CID:	135116657
Reduced:	ON3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	318.124739
ΔH_f, kcal/mol:	16.43
Dipole, Da:	4.93
IP(EA), eV:	-9.06(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC2=CC=NC=C2)CC3=CC=NC=C3

DOS

IR

Vibrations