Geometry & MOs

Info

ID:	140938
PubChem CID:	52786465
Reduced:	BrO2N5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	35.93
Dipole, Da:	2.44
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[(1S)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(N=CC=C1)N2C=NC=N2)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations