Geometry & MOs

Info

ID:	182852
PubChem CID:	76945473
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	67.85
Dipole, Da:	3.79
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)pentan-3-yl]-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CSC=C2)C3=C(C(=CC=C3)Cl)C(=NO)N

DOS

IR

Vibrations