Geometry & MOs

Info

ID:	297045
PubChem CID:	117606778
Reduced:	F2C37H40 (1)
Stoich.:	A2B37C40 (1)
Weight, g/mol:	266.068527
ΔH_f, kcal/mol:	-61.17
Dipole, Da:	2.61
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-5-chloro-4-(2,2,2-trifluoroethyl)phenol

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C=C3)C4=CC(=C(C=C4)C5=CC=C(C=C5)CC)F)F

DOS

IR

Vibrations