Geometry & MOs

Info

ID:	58854
PubChem CID:	24714972
Reduced:	ClO2N3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	3.27
Dipole, Da:	0.69
IP(EA), eV:	-9.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC(CNCC1=NC(=NO1)C2=CC=C(C=C2)Cl)(C=C)O

DOS

IR

Vibrations