Geometry & MOs

Info

ID:	160338
PubChem CID:	57309685
Reduced:	ClN5O5C18H20 (1)
Stoich.:	AB5C5D18E20 (1)
Weight, g/mol:	374.17593
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	3.66
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bis(2,6-dimethylphenoxy)phosphorylpiperazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCONC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4C(C([C@H](O4)CO)O)O

DOS

IR

Vibrations