Geometry & MOs

Info

ID:	36596
PubChem CID:	8009349
Reduced:	BrNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	405.05757
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	2.23
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=O)OCC(=O)N[C@@H](C)C2=CC=C(C=C2)Br

DOS

IR

Vibrations