Geometry & MOs

Info

ID:	248640
PubChem CID:	103083258
Reduced:	BrON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	293.01637
ΔH_f, kcal/mol:	25.42
Dipole, Da:	2.77
IP(EA), eV:	-9.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)C(CN)C(C)C

DOS

IR

Vibrations