Geometry & MOs

Info

ID:	418611
PubChem CID:	135106207
Reduced:	SN3O4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	4.91
IP(EA), eV:	-9.18(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-[1-(4-fluorophenyl)propylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)S(=O)(=O)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations