Geometry & MOs

Info

ID:	430862
PubChem CID:	135170929
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	109.052764
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	3.76
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-ethylidene-4-methylidene-1,3-oxazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations