Geometry & MOs

Info

ID:	28245
PubChem CID:	826522
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	65.44
Dipole, Da:	7.38
IP(EA), eV:	-8.27(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-pyrimidin-2-ylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations