Geometry & MOs

Info

ID:	288084
PubChem CID:	104310655
Reduced:	BrON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	363.97265
ΔH_f, kcal/mol:	69.85
Dipole, Da:	4.7
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-bromopyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-chloroaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C2=NC(=NO2)C3=C(C=CC=N3)Br)N)C

DOS

IR

Vibrations