Geometry & MOs

Info

ID:	276961
PubChem CID:	103825995
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-111.01
Dipole, Da:	2.3
IP(EA), eV:	-8.94(2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-methoxybenzonitrile

Drug info:

PubChemData

Smile

C[C@H](CO)NC1CC(C1(C)C)(C)OC

DOS

IR

Vibrations