Geometry & MOs

Info

ID:	232530
PubChem CID:	87576377
Reduced:	N2F3O7H15C16 (1)
Stoich.:	A2B3C7D15E16 (1)
Weight, g/mol:	305.224557
ΔH_f, kcal/mol:	-411.31
Dipole, Da:	3.75
IP(EA), eV:	-10.56(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dihydroxy(oxo)phosphanium;oct-1-ene

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)N(C(CC2=CN=C(C=C2)C(F)(F)F)C=O)C(=O)O)C

DOS

IR

Vibrations