Geometry & MOs

Info

ID:	222218
PubChem CID:	85295302
Reduced:	F3O5C7H11 (1)
Stoich.:	A3B5C7D11 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-382.38
Dipole, Da:	6.45
IP(EA), eV:	-10.55(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1C(C(C(CO1)O)O)(C(F)(F)F)O

DOS

IR

Vibrations