Geometry & MOs

Info

ID:	213091
PubChem CID:	81062827
Reduced:	BrNO4C15H18 (1)
Stoich.:	ABC4D15E18 (1)
Weight, g/mol:	296.100836
ΔH_f, kcal/mol:	-145.46
Dipole, Da:	6.46
IP(EA), eV:	-9.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[2-(2-nitrophenoxy)acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)/C=C/C1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations