Geometry & MOs

Info

ID:	85334
PubChem CID:	49873908
Reduced:	NSnO5C15H20 (1)
Stoich.:	ABC5D15E20 (1)
Weight, g/mol:	418.231099
ΔH_f, kcal/mol:	-8.78
Dipole, Da:	8.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.842444
Charge, e:	8

Chem-info

IUPAC name:

[4-(dimethylamino)phenyl]oxidanium;ethyloxidanium;titanium(4+)

Drug info:

PubChemData

Smile

CCC[CH2-].CCC[CH2-].C1=C(C=C(N=C1C(=O)[O-])C(=O)[O-])[O-].[Sn+4]

DOS

IR

Vibrations