Geometry & MOs

Info

ID:	208521
PubChem CID:	80539890
Reduced:	FON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-10.36
Dipole, Da:	3.35
IP(EA), eV:	-9.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1H-benzimidazol-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CC(CCN)C1=NC(=NO1)C2=CC(=CC=C2)F

DOS

IR

Vibrations