Geometry & MOs

Info

ID:	229093
PubChem CID:	87566938
Reduced:	NTiCl2H24C28 (1)
Stoich.:	ABC2D24E28 (1)
Weight, g/mol:	271.052893
ΔH_f, kcal/mol:	184.2
Dipole, Da:	7.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 4.895143
Charge, e:	0

Chem-info

IUPAC name:

N-[chloro(phenoxy)phosphoryl]-N-prop-2-enylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1C2=CC=CC3=C2CC4=CC=CC=C43)[N-]C5=CC=CC=C5.[Cl-].[Cl-].[Ti+3]

DOS

IR

Vibrations