Geometry & MOs

Info

ID:	391099
PubChem CID:	135002809
Reduced:	FO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	272.121258
ΔH_f, kcal/mol:	-338.65
Dipole, Da:	2.53
IP(EA), eV:	-10.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-2-hydroxyphenyl)-(2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@H](OC(O2)(C)C)COC(=O)F)C

DOS

IR

Vibrations