Geometry & MOs

Info

ID:	234708
PubChem CID:	92303352
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	301.106256
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	1.39
IP(EA), eV:	-9.66(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(Z)-(2-acetamido-3-methyl-5-oxoimidazol-4-ylidene)methyl]phenyl] acetate

Drug info:

PubChemData

Smile

C=C[C@H]1[C@H](CO[C@@H](O1)C2=CC=CC=C2)O

DOS

IR

Vibrations