Geometry & MOs

Info

ID:	36567
PubChem CID:	8008980
Reduced:	N3O5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	406.05664
ΔH_f, kcal/mol:	-267.33
Dipole, Da:	9.11
IP(EA), eV:	-10.36(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenoxy)ethyl-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-methylazanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CCC(=O)N)C(=O)O)NC(=O)C1C2CC3CC(C2)CC1C3

DOS

IR

Vibrations