Geometry & MOs

Info

ID:	441066
PubChem CID:	135232992
Reduced:	OSN6C21H22 (1)
Stoich.:	ABC6D21E22 (1)
Weight, g/mol:	449.271865
ΔH_f, kcal/mol:	99.36
Dipole, Da:	4.57
IP(EA), eV:	-8.77(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-tert-butyl-2-ethenyl-3-(2-propan-2-ylphenyl)phenyl]-5-(4-ethylphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CC(=N)C1=CN(C(=N)C=C1)C(=N)SC2=CC3=CC(=CN=C3C=C2)N4CCOCC4

DOS

IR

Vibrations