Geometry & MOs

Info

ID:	62883
PubChem CID:	26737414
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	265.110279
ΔH_f, kcal/mol:	-31.34
Dipole, Da:	9.54
IP(EA), eV:	-8.1(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CN4C=CC(=CC4=N3)C

DOS

IR

Vibrations