Geometry & MOs

Info

ID:	277341
PubChem CID:	103827972
Reduced:	ON3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	325.04259
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	3.08
IP(EA), eV:	-9.17(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CC(C1)NCCC2=NC(=NO2)C)C

DOS

IR

Vibrations