Geometry & MOs

Info

ID:	151307
PubChem CID:	53801036
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	4.4
Dipole, Da:	3.18
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-5-ethynylpyridin-3-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CCCCNN(C(=O)C1=CC=CC=C1)C(=O)C2=NC=CN=C2

DOS

IR

Vibrations