Geometry & MOs

Info

ID:	328374
PubChem CID:	126701231
Reduced:	BrFO2N5H23C27 (1)
Stoich.:	ABC2D5E23F27 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	89.69
Dipole, Da:	11.54
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2,2-dimethylbutyl)-1,3-oxazol-5-yl]-2,2-dimethylbutyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=NC(=N2)C3=C(C=C(C=C3)C4=NC5=C6N4CCCCOC6=CC(=C5)Br)F

DOS

IR

Vibrations