Geometry & MOs

Info

ID:	207863
PubChem CID:	80462765
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	195.0354
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	2.84
IP(EA), eV:	-10.2(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-methylthiophen-2-yl)-1,2-oxazol-3-yl]methanol

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC(=NO2)CO

DOS

IR

Vibrations