Geometry & MOs

Info

ID:	18929
PubChem CID:	551130
Reduced:	O2F3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	286.118064
ΔH_f, kcal/mol:	-234.44
Dipole, Da:	3.94
IP(EA), eV:	-10.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations