Geometry & MOs

Info

ID:	258973
PubChem CID:	103157657
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	23.19
Dipole, Da:	1.02
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxypropan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NC(=NO1)C2=CC=CC3=CC=CC=C32)CN

DOS

IR

Vibrations