Geometry & MOs

Info

ID:	147893
PubChem CID:	53787552
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	686.219842
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	5.42
IP(EA), eV:	-9.22(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[bis[(3-methylphenyl)methoxy]phosphoryloxy]phenyl] bis[(3-methylphenyl)methyl] phosphate

Drug info:

PubChemData

Smile

CCCCCCCC(=O)NC1=CC=C(C=C1)C=O

DOS

IR

Vibrations