Geometry & MOs

Info

ID:	268192
PubChem CID:	103598310
Reduced:	ClN2O2F3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	-195.57
Dipole, Da:	2.89
IP(EA), eV:	-9.35(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dichlorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CNC(=O)C=CC2=C(C=CC(=C2)C(F)(F)F)Cl)C

DOS

IR

Vibrations