Geometry & MOs

Info

ID:	145995
PubChem CID:	53621709
Reduced:	NOC3H5 (3)
Stoich.:	ABC3D5 (3)
Weight, g/mol:	378.09429
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	1.07
IP(EA), eV:	-10.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-bromophenyl)oxan-4-yl]-3-(3-methylbutyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)OCC(=O)NC

DOS

IR

Vibrations