Geometry & MOs

Info

ID:	272402
PubChem CID:	103741907
Reduced:	BrFNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	223.05124
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	2.56
IP(EA), eV:	-8.46(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=C(C=CC=C2Br)F

DOS

IR

Vibrations