Geometry & MOs

Info

ID:	287615
PubChem CID:	104248895
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-54.36
Dipole, Da:	2.6
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(CCNCC1)C2=NC(=NO2)CC3CCCCO3

DOS

IR

Vibrations