Geometry & MOs

Info

ID:	217307
PubChem CID:	85087592
Reduced:	NO8C16H17 (1)
Stoich.:	AB8C16D17 (1)
Weight, g/mol:	351.074287
ΔH_f, kcal/mol:	-246.32
Dipole, Da:	4.06
IP(EA), eV:	-10.91(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetyloxy-4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC(CC1C(=O)OC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations