Geometry & MOs

Info

ID:	340256
PubChem CID:	127262267
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	344.084713
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	2.26
IP(EA), eV:	-10.32(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl) carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)OC/C=C/CO

DOS

IR

Vibrations