Geometry & MOs

Info

ID:	124208
PubChem CID:	50874800
Reduced:	BrFO2N3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	6.95
Dipole, Da:	2.58
IP(EA), eV:	-9.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-tert-butylphenyl)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=NO1)C2=CC(=CC=C2)Br)C(=O)/C=C/C3=CC=C(C=C3)F

DOS

IR

Vibrations