Geometry & MOs

Info

ID:	184005
PubChem CID:	77101191
Reduced:	FNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	2.23
IP(EA), eV:	-9.21(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[methyl(thiophen-3-ylmethyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=CCN(C)CC1=CC(=CC=C1)F)C(=O)OC

DOS

IR

Vibrations