Geometry & MOs

Info

ID:	372107
PubChem CID:	131293275
Reduced:	SN4H6C9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	99.26
Dipole, Da:	2.76
IP(EA), eV:	-8.98(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]but-3-yn-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=NC(=C(S2)C#N)N

DOS

IR

Vibrations