Geometry & MOs

Info

ID:	368835
PubChem CID:	127330655
Reduced:	SO2N6C18H26 (1)
Stoich.:	AB2C6D18E26 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	2.06
IP(EA), eV:	-9.26(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCCC(C3)CN4C=NC=N4

DOS

IR

Vibrations