Geometry & MOs

Info

ID:	184541
PubChem CID:	77174801
Reduced:	BrSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	161.084064
ΔH_f, kcal/mol:	-2.19
Dipole, Da:	2.16
IP(EA), eV:	-9.28(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-phenyl-2H-1,3-oxazole

Drug info:

PubChemData

Smile

CCCCCCCC1=CC=C(S1)Br

DOS

IR

Vibrations