Geometry & MOs

Info

ID:	208580
PubChem CID:	80548403
Reduced:	ClON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	5.35
IP(EA), eV:	-8.64(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C(C)(C)N2CCNCC2

DOS

IR

Vibrations