Geometry & MOs

Info

ID:	402630
PubChem CID:	135056643
Reduced:	ISN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	134.021106
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	4.98
IP(EA), eV:	-8.74(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpropan-2-yl)oxymethylidenetitanium

Drug info:

PubChemData

Smile

CNC(=O)C1=CS/C(=C\2/C=C(C=CC2=O)I)/N1

DOS

IR

Vibrations