Geometry & MOs

Info

ID:	155391
PubChem CID:	56353039
Reduced:	BrN2O3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	3.41
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2,4-dimethylphenoxy)propanoylamino]-N-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)C(=O)C3=CC=CC=C3OC4=CC(=CC=C4)Br

DOS

IR

Vibrations