Geometry & MOs

Info

ID:	79979
PubChem CID:	49831963
Reduced:	N2O3H22C29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	292.98182
ΔH_f, kcal/mol:	0.21
Dipole, Da:	2.5
IP(EA), eV:	-8.67(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-amino-3-(4-bromophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC2=C(C(C3=C(O2)C=CC4=CC=CC=C43)C5=CC=CC=C5OC)C(=O)N1C6=CC=CC=C6

DOS

IR

Vibrations