Geometry & MOs

Info

ID:	25292
PubChem CID:	622280
Reduced:	NO3H23C25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	399.183444
ΔH_f, kcal/mol:	-12.33
Dipole, Da:	1.56
IP(EA), eV:	-8.82(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4H-1,2-oxazol-5-yl]-1-(4-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations