Geometry & MOs

Info

ID:	339791
PubChem CID:	127261800
Reduced:	ClNOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	317.271865
ΔH_f, kcal/mol:	5.97
Dipole, Da:	2.51
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(8E,11E)-heptadeca-8,11-dienyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=NO1)C2=CC=CC=C2)CCl

DOS

IR

Vibrations