Geometry & MOs

Info

ID:	292058
PubChem CID:	114178455
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	310.00654
ΔH_f, kcal/mol:	-196.01
Dipole, Da:	8.36
IP(EA), eV:	-10.42(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-bromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1([C@H]([C@H]1C(=O)O)C(=O)NC2CCCC2CO)C

DOS

IR

Vibrations