Geometry & MOs

Info

ID:	208586
PubChem CID:	80549475
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-60.36
Dipole, Da:	3.6
IP(EA), eV:	-9.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-cyanoethyl(2-methylpropyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CN(C)CC(C)C#N

DOS

IR

Vibrations