Geometry & MOs

Info

ID:	287620
PubChem CID:	104248971
Reduced:	O2F3N3C11H16 (1)
Stoich.:	A2B3C3D11E16 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-197.57
Dipole, Da:	2.85
IP(EA), eV:	-9.99(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)CC2CCCCO2)(C(F)(F)F)N

DOS

IR

Vibrations