Geometry & MOs

Info

ID:	419759
PubChem CID:	135108975
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	-133.66
Dipole, Da:	2.35
IP(EA), eV:	-8.78(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-4-[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC(C)(C)C(=O)N(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations