Geometry & MOs

Info

ID:	212881
PubChem CID:	81062117
Reduced:	BrON2C10H15 (1)
Stoich.:	ABC2D10E15 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-16.42
Dipole, Da:	2.42
IP(EA), eV:	-9.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylamino)-4-[2-ethoxyethyl(methyl)amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C1=C(C=CC=N1)Br

DOS

IR

Vibrations