Geometry & MOs

Info

ID:	398727
PubChem CID:	135035110
Reduced:	PN2O3C39H39 (1)
Stoich.:	AB2C3D39E39 (1)
Weight, g/mol:	404.078916
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	4.81
IP(EA), eV:	-8.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-diphenylphosphoryl-1-[4-(trifluoromethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

CCC1CN2CCC1CC2[C@@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations