Geometry & MOs

Info

ID:	375449
PubChem CID:	131529765
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	15.91
Dipole, Da:	9.16
IP(EA), eV:	-10.03(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-amino-3-(4-amino-3-bromo-5-methylphenyl)butanoic acid

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)C2CCC(CC2)C#N

DOS

IR

Vibrations