Geometry & MOs

Info

ID:	401582
PubChem CID:	135051692
Reduced:	NF3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	467.201416
ΔH_f, kcal/mol:	-237.67
Dipole, Da:	3.64
IP(EA), eV:	-8.75(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[benzyl(diphenylphosphorylmethyl)amino]phenyl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=C(C=C(C=C2)OC)N(CC3=CC=CC=C3)C(=O)C(F)(F)F)OC

DOS

IR

Vibrations