Geometry & MOs

Info

ID:	134034
PubChem CID:	51628515
Reduced:	BrN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	411.252192
ΔH_f, kcal/mol:	-32.23
Dipole, Da:	1.48
IP(EA), eV:	-8.59(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CNCC2=C(C(=CC(=C2)Br)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations