Geometry & MOs

Info

ID:	379443
PubChem CID:	134419498
Reduced:	F3O4H41C46 (1)
Stoich.:	A3B4C41D46 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-231.87
Dipole, Da:	6.18
IP(EA), eV:	-8.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethylpropyl)-5-(2-hydroxyethyl)phenyl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C3C(=C1)C=CC4=C3C(=C(C=C4)C5=CC6=C(C=C5)C7=C(C6(CCCOC(=O)C=C)CCCOC(=O)C=C)C=CC(=C7)C(F)(F)F)C=C2

DOS

IR

Vibrations