Geometry & MOs

Info

ID:	35600
PubChem CID:	7980086
Reduced:	BrNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	327.147058
ΔH_f, kcal/mol:	-113.93
Dipole, Da:	0.68
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(4-ethylphenoxy)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)COC2=CC=C(C=C2)Br

DOS

IR

Vibrations