Geometry & MOs

Info

ID:	197718
PubChem CID:	78988598
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[(6-methylpyridin-2-yl)methylamino]butanoic acid

Drug info:

PubChemData

Smile

CN(CC1CCCC1)C(=O)C2=C(C=C(C=C2)Br)OC

DOS

IR

Vibrations