Geometry & MOs

Info

ID:	147535
PubChem CID:	53787191
Reduced:	O2C17H30 (1)
Stoich.:	A2B17C30 (1)
Weight, g/mol:	250.042848
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	5.68
IP(EA), eV:	-10.06(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl 5,5,5-trifluoro-2-methylidenepentanoate

Drug info:

PubChemData

Smile

CC(C)CCCCC(C)CCC=CC(=CC(=O)O)C

DOS

IR

Vibrations