Geometry & MOs

Info

ID:	54835
PubChem CID:	17389375
Reduced:	PO2Cl5C16H16 (1)
Stoich.:	AB2C5D16E16 (1)
Weight, g/mol:	291.049135
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	27.69
IP(EA), eV:	-6.61(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC[P+](COC2=CC=C(C=C2)Cl)(CCl)CCl)Cl.[Cl-]

DOS

IR

Vibrations