Geometry & MOs

Info

ID:	299192
PubChem CID:	117677371
Reduced:	C5O5H12 (1)
Stoich.:	A5B5C12 (1)
Weight, g/mol:	445.124941
ΔH_f, kcal/mol:	-232.04
Dipole, Da:	1.88
IP(EA), eV:	-10.3(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-2-oxo-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d]imidazol-1-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

COC(C(CO)(O)OC)O

DOS

IR

Vibrations