Geometry & MOs

Info

ID:	251253
PubChem CID:	103102478
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-44.39
Dipole, Da:	4.9
IP(EA), eV:	-9.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(C)C(=O)NC1=CC=C(C=C1)C#N

DOS

IR

Vibrations