Geometry & MOs

Info

ID:	156517
PubChem CID:	56370952
Reduced:	ClO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-14.17
Dipole, Da:	7.89
IP(EA), eV:	-8.05(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CN(N=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations