Geometry & MOs

Info

ID:	204856
PubChem CID:	80021915
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	251.134385
ΔH_f, kcal/mol:	1.0
Dipole, Da:	8.48
IP(EA), eV:	-9.01(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(sulfanylmethyl)cycloheptyl]methyl]pyridin-4-one

Drug info:

PubChemData

Smile

C1=CN(C=CC1=O)CC=CCS

DOS

IR

Vibrations