Geometry & MOs

Info

ID:	24119
PubChem CID:	607912
Reduced:	O2F3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	328.165014
ΔH_f, kcal/mol:	-250.61
Dipole, Da:	4.4
IP(EA), eV:	-10.01(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations