Geometry & MOs

Info

ID:	371643
PubChem CID:	131269510
Reduced:	ClON2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	273.95892
ΔH_f, kcal/mol:	0.98
Dipole, Da:	4.28
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-bromo-5-nitrophenyl)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1CC#N)Cl)N

DOS

IR

Vibrations