Geometry & MOs

Info

ID:	248642
PubChem CID:	103083263
Reduced:	BrO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	-2.37
Dipole, Da:	3.14
IP(EA), eV:	-9.37(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NOC(=N2)CC3CNCCO3

DOS

IR

Vibrations