Geometry & MOs

Info

ID:	211404
PubChem CID:	80944843
Reduced:	ON5C7H13 (1)
Stoich.:	AB5C7D13 (1)
Weight, g/mol:	268.145474
ΔH_f, kcal/mol:	0.88
Dipole, Da:	4.54
IP(EA), eV:	-9.19(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-6-(4-propylpiperazin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1NCCCO)NN

DOS

IR

Vibrations