Geometry & MOs

Info

ID:	208093
PubChem CID:	80495145
Reduced:	ClNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	208.107259
ΔH_f, kcal/mol:	-87.94
Dipole, Da:	3.65
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

COC(=O)C1(COC1)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations