Geometry & MOs

Info

ID:	126848
PubChem CID:	50981625
Reduced:	FSN3O4C16H16 (1)
Stoich.:	ABC3D4E16F16 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-159.96
Dipole, Da:	5.14
IP(EA), eV:	-8.47(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyphenyl)ethylamino]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(CC(=O)NC2=C1)C3=C(C=NC=C3)F)NS(=O)(=O)C

DOS

IR

Vibrations