Geometry & MOs

Info

ID:	297046
PubChem CID:	117606976
Reduced:	ClOF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	224.096793
ΔH_f, kcal/mol:	-226.91
Dipole, Da:	5.14
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-chloro-4-cyclopropylphenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(C(=C1)CC(F)(F)F)Cl)O

DOS

IR

Vibrations