Geometry & MOs

Info

ID:	130133
PubChem CID:	51075011
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-26.75
Dipole, Da:	3.7
IP(EA), eV:	-8.95(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(2-sulfanylidene-1H-pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)N2CCCCCCC2

DOS

IR

Vibrations