Geometry & MOs

Info

ID:	277537
PubChem CID:	103829267
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-52.08
Dipole, Da:	7.94
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C1CCN(CC1)CC2=CC(=C(C=C2)OC)C#N)O

DOS

IR

Vibrations