Geometry & MOs

Info

ID:	413574
PubChem CID:	135086523
Reduced:	OC20H20 (1)
Stoich.:	AB20C20 (1)
Weight, g/mol:	294.12315
ΔH_f, kcal/mol:	-5.84
Dipole, Da:	2.26
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-[4-(trifluoromethyl)phenyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations