Geometry & MOs

Info

ID:	43741
PubChem CID:	10321725
Reduced:	ON2F6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	454.11814
ΔH_f, kcal/mol:	-302.71
Dipole, Da:	7.65
IP(EA), eV:	-9.64(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-bis(phenylmethoxy)phosphoryloxyacetyl]phenyl] acetate

Drug info:

PubChemData

Smile

C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)O

DOS

IR

Vibrations