Geometry & MOs

Info

ID:	374565
PubChem CID:	131331590
Reduced:	BrN4H5C8 (1)
Stoich.:	AB4C5D8 (1)
Weight, g/mol:	273.00006
ΔH_f, kcal/mol:	118.58
Dipole, Da:	2.91
IP(EA), eV:	-9.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-3-(4-bromo-2-methylphenyl)-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)N(N=N2)CC#N

DOS

IR

Vibrations