Geometry & MOs

Info

ID:	407719
PubChem CID:	135080474
Reduced:	FN2O3C9H11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	2.41
IP(EA), eV:	-10.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(2E,4E)-hexa-2,4-dienoxy]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@H](C1=NC=CN=C1)O)F

DOS

IR

Vibrations