Geometry & MOs

Info

ID:	184025
PubChem CID:	77102321
Reduced:	N2O2C15H22 (1)
Stoich.:	A2B2C15D22 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	3.44
IP(EA), eV:	-9.21(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-4-[ethyl(pyridin-4-ylmethyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations