Geometry & MOs

Info

ID:	85457
PubChem CID:	49875404
Reduced:	N2O3H10C12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	172.063663
ΔH_f, kcal/mol:	-55.92
Dipole, Da:	5.02
IP(EA), eV:	-10.61(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-oxo-5,6-dihydrocyclopenta[c]pyridin-6-yl)acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1(CC2=C(C1=O)C=NC=C2)CC#N

DOS

IR

Vibrations