Geometry & MOs

Info

ID:	202060
PubChem CID:	79622501
Reduced:	NSO3C14H27 (1)
Stoich.:	ABC3D14E27 (1)
Weight, g/mol:	214.081679
ΔH_f, kcal/mol:	-173.5
Dipole, Da:	5.45
IP(EA), eV:	-9.46(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)CC2(CCCCC2)CO

DOS

IR

Vibrations