Geometry & MOs

Info

ID:	253948
PubChem CID:	103121774
Reduced:	O2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	179.08071
ΔH_f, kcal/mol:	7.03
Dipole, Da:	6.36
IP(EA), eV:	-10.36(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations