Geometry & MOs

Info

ID:	156370
PubChem CID:	56370301
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	477.158597
ΔH_f, kcal/mol:	-100.94
Dipole, Da:	7.81
IP(EA), eV:	-8.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,3-dichlorophenoxy)butanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4CC4)OC

DOS

IR

Vibrations