Geometry & MOs

Info

ID:	324478
PubChem CID:	126677738
Reduced:	ON7H15C18 (1)
Stoich.:	AB7C15D18 (1)
Weight, g/mol:	291.171179
ΔH_f, kcal/mol:	134.39
Dipole, Da:	1.72
IP(EA), eV:	-9.17(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[dimethylamino(ethoxy)phosphoryl]piperazin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C=N

DOS

IR

Vibrations