Geometry & MOs

Info

ID:	36597
PubChem CID:	8009356
Reduced:	BrNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-107.14
Dipole, Da:	4.71
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]-methylamino]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