Geometry & MOs

Info

ID:	431049
PubChem CID:	135171119
Reduced:	O2F3N4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	121.052764
ΔH_f, kcal/mol:	-189.86
Dipole, Da:	3.43
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-4-methylidene-5-prop-2-enylidene-1,3-oxazole

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=C(C=C2)OC(F)(F)F)C(=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations