Geometry & MOs

Info

ID:	358324
PubChem CID:	127295869
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	1.98
IP(EA), eV:	-9.69(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(2-pyridin-3-yloxyacetyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)C3=CN=CN3

DOS

IR

Vibrations