Geometry & MOs

Info

ID:	28914
PubChem CID:	830605
Reduced:	OCl2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	321.100108
ΔH_f, kcal/mol:	58.27
Dipole, Da:	2.3
IP(EA), eV:	-9.19(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C(=NNC2=C(C=C(C=C2)Cl)Cl)C#N

DOS

IR

Vibrations