Geometry & MOs

Info

ID:	208585
PubChem CID:	80549335
Reduced:	FNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-226.51
Dipole, Da:	4.29
IP(EA), eV:	-9.33(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-cyanopropyl(methyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CS(=O)C1=C(C=CC(=C1)C(=O)O)F

DOS

IR

Vibrations