Geometry & MOs

Info

ID:	287613
PubChem CID:	104248848
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-15.05
Dipole, Da:	2.84
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NOC(=N2)C3=CC=CC=C3N

DOS

IR

Vibrations