Geometry & MOs

Info

ID:	222355
PubChem CID:	85297224
Reduced:	O4C25H42 (1)
Stoich.:	A4B25C42 (1)
Weight, g/mol:	407.095612
ΔH_f, kcal/mol:	-147.47
Dipole, Da:	5.36
IP(EA), eV:	-8.2(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1-phenylprop-1-en-2-yl)-5-(trifluoromethyl)-1,3-oxazol-4-yl]propyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=C(C2(CCCC(C2C(C1O)OC(=O)CC(C)C)(C)C)C)CCC(=CCO)C

DOS

IR

Vibrations