Geometry & MOs

Info

ID:	156455
PubChem CID:	56370691
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-171.23
Dipole, Da:	4.81
IP(EA), eV:	-8.15(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3-cyanophenoxy)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CC(=CC(=C3)OC)OC)OC

DOS

IR

Vibrations