Geometry & MOs

Info

ID:	371794
PubChem CID:	131271681
Reduced:	BrNO3H8C10 (1)
Stoich.:	ABC3D8E10 (1)
Weight, g/mol:	268.96876
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	0.79
IP(EA), eV:	-10.35(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-cyano-5-(hydroxymethyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C(=C1)C#N)CO)Br

DOS

IR

Vibrations