Geometry & MOs

Info

ID:	62884
PubChem CID:	26737415
Reduced:	NO2H15C17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	22.43
Dipole, Da:	7.89
IP(EA), eV:	-8.15(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-methylphenyl)-2H-1,2-oxazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=C3C=C(C=CC3=O)C)ON2

DOS

IR

Vibrations