Geometry & MOs

Info

ID:	268126
PubChem CID:	103597973
Reduced:	S2N3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-80.84
Dipole, Da:	6.03
IP(EA), eV:	-9.51(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methylpiperidin-1-yl)propyl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)NC(=O)C=CC2=CSC(=N2)C

DOS

IR

Vibrations