Geometry & MOs

Info

ID:	372420
PubChem CID:	131297368
Reduced:	BrNO4H8C9 (1)
Stoich.:	ABC4D8E9 (1)
Weight, g/mol:	292.94543
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	6.04
IP(EA), eV:	-10.38(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-bromo-3-chlorophenyl)-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)[N+](=O)[O-])C(=O)OC)Br

DOS

IR

Vibrations