Geometry & MOs

Info

ID:	436310
PubChem CID:	135198703
Reduced:	ClSO2N6C20H31 (1)
Stoich.:	ABC2D6E20F31 (1)
Weight, g/mol:	204.13915
ΔH_f, kcal/mol:	-30.23
Dipole, Da:	6.03
IP(EA), eV:	-8.49(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(dimethylphosphorylmethyl)-4-ethylpiperazine

Drug info:

PubChemData

Smile

CN1CCC(CC1)SN2CCN(CC2)/C(=C/CNC(=O)C3=COC(=N3)N)/C=C\CCl

DOS

IR

Vibrations