Geometry & MOs

Info

ID:	198573
PubChem CID:	79120201
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	4.45
Dipole, Da:	3.53
IP(EA), eV:	-8.89(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN(C1CCC(=O)CC1)C2=NN=CC=C2

DOS

IR

Vibrations