Geometry & MOs

Info

ID:	12251
PubChem CID:	133496
Reduced:	INPO4C12H19 (1)
Stoich.:	ABCD4E12F19 (1)
Weight, g/mol:	399.00964
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	12.34
IP(EA), eV:	-6.76(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1,3,2-dioxaphosphinan-2-yloxy)-6-oxocyclohexa-1,3-dien-1-yl]-trimethylazanium;iodide

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC=CC(C1=O)OP2OCCCO2.[I-]

DOS

IR

Vibrations