Geometry & MOs

Info

ID:	220244
PubChem CID:	85176997
Reduced:	NSO3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	230.069142
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	3.53
IP(EA), eV:	-9.48(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-cyano-5-phenyl-4H-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CSC(=O)N1CCC=C

DOS

IR

Vibrations