Geometry & MOs

Info

ID:	226923
PubChem CID:	87558964
Reduced:	SN4O6C55H78 (1)
Stoich.:	AB4C6D55E78 (1)
Weight, g/mol:	474.105898
ΔH_f, kcal/mol:	-192.85
Dipole, Da:	4.27
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diphenoxymethanimine;titanium

Drug info:

PubChemData

Smile

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC.CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)OC)O

DOS

IR

Vibrations