Geometry & MOs

Info

ID:	431325
PubChem CID:	135171396
Reduced:	FN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-93.9
Dipole, Da:	1.76
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5E)-5-[(2-hydroxyethylamino)methyl]-2-methylidenehepta-3,5-dienal

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)OC2CCNCC2)F

DOS

IR

Vibrations