Geometry & MOs

Info

ID:	263239
PubChem CID:	103348651
Reduced:	N2O2C9H10 (1)
Stoich.:	A2B2C9D10 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	3.98
IP(EA), eV:	-9.58(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy-(6-methoxypyridin-2-yl)methyl]cycloheptane-1-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2CC(=O)N2

DOS

IR

Vibrations