Geometry & MOs

Info

ID:	205350
PubChem CID:	80091157
Reduced:	ClN2O2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	4.23
IP(EA), eV:	-9.05(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpyridin-3-yl)-3-ethyl-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

COC(=O)NC1=CC(=C(C=C1)Cl)C#CCN

DOS

IR

Vibrations