Geometry & MOs

Info

ID:	159354
PubChem CID:	57269666
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	253.047715
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	3.91
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis(2-carboxypropoxy)-oxophosphanium

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=CC(=N2)CCCC(=O)NOC=O)C3=CN=CC=C3

DOS

IR

Vibrations