Geometry & MOs

Info

ID:	36595
PubChem CID:	8009347
Reduced:	NO2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	5.19
IP(EA), eV:	-9.39(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)ethyl]-2-(2-ethoxy-4-formylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)OCC(=O)NC2(CCCC2)C#N

DOS

IR

Vibrations