Geometry & MOs

Info

ID:	230396
PubChem CID:	87570787
Reduced:	O6H16C17 (2)
Stoich.:	A6B16C17 (2)
Weight, g/mol:	258.105608
ΔH_f, kcal/mol:	-445.53
Dipole, Da:	1.93
IP(EA), eV:	-8.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)-3-methyl-3-(2-methylphenyl)oxiran-2-ol

Drug info:

PubChemData

Smile

C1C2(CC3(CC1(CC(C2)(C3)C4=CC(=C(C=C4O)O)O)C5=CC(=C(C=C5O)O)O)C6=CC(=C(C=C6O)O)O)C7=CC(=C(C=C7O)O)O

DOS

IR

Vibrations