Geometry & MOs

Info

ID:	43678
PubChem CID:	10321636
Reduced:	SO3N4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	452.278741
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	6.04
IP(EA), eV:	-8.22(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2-ethylphenoxy)methyl]piperidin-1-yl]ethyl]-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=C(C=C3)OCC4)N

DOS

IR

Vibrations