Geometry & MOs

Info

ID:	212667
PubChem CID:	81061427
Reduced:	NSO2C15H23 (1)
Stoich.:	ABC2D15E23 (1)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	2.42
IP(EA), eV:	-8.81(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-[[2-ethoxyethyl(methyl)amino]methyl]-5-fluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC1=CC(=CS1)C#CCCO

DOS

IR

Vibrations