Geometry & MOs

Info

ID:	388259
PubChem CID:	134988660
Reduced:	OF3C11H18 (1)
Stoich.:	AB3C11D18 (1)
Weight, g/mol:	246.047934
ΔH_f, kcal/mol:	-213.31
Dipole, Da:	4.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755994
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-ethylidene-3-methyl-2,2-bis(trifluoromethyl)cyclobutan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[C](C(=O)C(F)(F)F)C(C)(C)C

DOS

IR

Vibrations