Geometry & MOs

Info

ID:	313094
PubChem CID:	126611853
Reduced:	NO4C13H19 (2)
Stoich.:	AB4C13D19 (2)
Weight, g/mol:	455.00924
ΔH_f, kcal/mol:	-326.01
Dipole, Da:	3.3
IP(EA), eV:	-8.72(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CN1C([C@@H]2[C@@H](CCN2C(=O)C3=CC(=C(C=C31)OC)OC)COCCCC(=O)OC)OC4CCCCO4

DOS

IR

Vibrations