Geometry & MOs

Info

ID:	441001
PubChem CID:	135232642
Reduced:	N4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	193.030983
ΔH_f, kcal/mol:	52.09
Dipole, Da:	6.78
IP(EA), eV:	-8.58(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-aminopyridin-2-yl)-1,3-oxazole-4-thiol

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=CCCC(=N2)N

DOS

IR

Vibrations