Geometry & MOs

Info

ID:	223679
PubChem CID:	85335409
Reduced:	NF3O7C23H26 (1)
Stoich.:	AB3C7D23E26 (1)
Weight, g/mol:	485.17264
ΔH_f, kcal/mol:	-426.85
Dipole, Da:	7.27
IP(EA), eV:	-9.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-4-[[4-[4-(1H-pyrazol-5-yl)butyl]phenoxy]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C(=O)C3C(C(C(C(O3)O)O)O)O

DOS

IR

Vibrations