Geometry & MOs

Info

ID:	293847
PubChem CID:	117405126
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	-113.58
Dipole, Da:	5.1
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(thian-4-yl)phenyl]-1,2-oxazol-3-amine

Drug info:

PubChemData

Smile

COC1=C2CCCCC2=C(C=C1)C3(CC3)CC(=O)O

DOS

IR

Vibrations