Geometry & MOs

Info

ID:	232763
PubChem CID:	87576923
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	373.098065
ΔH_f, kcal/mol:	17.75
Dipole, Da:	0.86
IP(EA), eV:	-9.75(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-methylphenol;fluoro(pentan-3-ylidene)titanium;dihydrochloride

Drug info:

PubChemData

Smile

C#CCOC(CN)(OCC#C)OCC#C

DOS

IR

Vibrations