Geometry & MOs

Info

ID:	233989
PubChem CID:	92297480
Reduced:	BrNO3H16C19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	393.121237
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	3.69
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyloxy-4-[(E)-[2-(3,4-dimethylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=N/C(=C/C3=C(C=CC(=C3)Br)OC)/C(=O)O2)C

DOS

IR

Vibrations