Geometry & MOs

Info

ID:	271211
PubChem CID:	103647932
Reduced:	BrO2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	2.0
IP(EA), eV:	-9.06(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations