Geometry & MOs

Info

ID:	188353
PubChem CID:	77703137
Reduced:	F3N7O7H28C29 (1)
Stoich.:	A3B7C7D28E29 (1)
Weight, g/mol:	388.202813
ΔH_f, kcal/mol:	-239.88
Dipole, Da:	5.73
IP(EA), eV:	-8.85(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(4-methyl-2-oxo-1,2lambda5-azaphosphinan-2-yl)ethyl]-2-methylphenol

Drug info:

PubChemData

Smile

CCN1C2=C(C(=NC=C2OCC(CNCC(C3=CC(=C(C=C3)OC(=O)C(F)(F)F)O)O)O)C4=CC=CC=C4)N=C1C5=NON=C5N

DOS

IR

Vibrations