Geometry & MOs

Info

ID:	48138
PubChem CID:	10537391
Reduced:	ClNOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	230.069142
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	5.1
IP(EA), eV:	-9.4(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5R)-5-cyano-5-phenyl-4H-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC[C@@H](C)C[NH3+].[Cl-]

DOS

IR

Vibrations