Geometry & MOs

Info

ID:	398114
PubChem CID:	135031817
Reduced:	ON2C5H5 (4)
Stoich.:	AB2C5D5 (4)
Weight, g/mol:	291.162314
ΔH_f, kcal/mol:	53.24
Dipole, Da:	11.85
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-3-(4-methylphenyl)-4-phenyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1(CNC2=C(C(C3=C(N2C1)N=C(C(=C3N)C#N)N)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations