Geometry & MOs

Info

ID:	280663
PubChem CID:	103850558
Reduced:	NO2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	4.3
IP(EA), eV:	-9.7(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)C(=O)NC3CCCC3CO

DOS

IR

Vibrations