Geometry & MOs

Info

ID:	183996
PubChem CID:	77101018
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-9.33
Dipole, Da:	7.05
IP(EA), eV:	-8.8(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-(3-pyridin-4-ylpropoxy)but-2-enoic acid

Drug info:

PubChemData

Smile

CC(CO)CSCC1=NC(=O)C2=CC=CC(=C)C2=N1

DOS

IR

Vibrations