Geometry & MOs

Info

ID:	24122
PubChem CID:	607927
Reduced:	O2F3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	356.196315
ΔH_f, kcal/mol:	-257.94
Dipole, Da:	3.86
IP(EA), eV:	-10.14(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyloctan-3-yl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCC(CC)CCC(CC)OC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations