Geometry & MOs

Info

ID:	372423
PubChem CID:	131297441
Reduced:	O2N3C9H9 (1)
Stoich.:	A2B3C9D9 (1)
Weight, g/mol:	288.04734
ΔH_f, kcal/mol:	34.5
Dipole, Da:	6.5
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-3-(2-amino-3-bromo-5-methylphenyl)-2-methylpropane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)[N+](=O)[O-])CC#N)N

DOS

IR

Vibrations