Geometry & MOs

Info

ID:	155314
PubChem CID:	56352901
Reduced:	BrO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	24.09
Dipole, Da:	4.22
IP(EA), eV:	-9.36(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[3-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)NCCC3=NC(=NO3)C

DOS

IR

Vibrations