Geometry & MOs

Info

ID:	442354
PubChem CID:	135251556
Reduced:	FC4H5 (3)
Stoich.:	AB4C5 (3)
Weight, g/mol:	270.084319
ΔH_f, kcal/mol:	-147.31
Dipole, Da:	2.39
IP(EA), eV:	-9.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1F)C)F)F)C(C)(C)C

DOS

IR

Vibrations