Geometry & MOs

Info

ID:	372357
PubChem CID:	131296556
Reduced:	BrNO2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	296.96123
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	5.95
IP(EA), eV:	-9.59(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-bromo-6-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2Br)C(=O)C#N

DOS

IR

Vibrations