Geometry & MOs

Info

ID:	225243
PubChem CID:	85752880
Reduced:	O5H6C8 (1)
Stoich.:	A5B6C8 (1)
Weight, g/mol:	318.100442
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	3.66
IP(EA), eV:	-10.92(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-2-(3,5-diphenyl-1,3-oxazol-2-ylidene)acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC=C(C1=O)C(=O)O

DOS

IR

Vibrations