Geometry & MOs

Info

ID:	375481
PubChem CID:	131529863
Reduced:	OSN2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	255.97351
ΔH_f, kcal/mol:	20.46
Dipole, Da:	3.39
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-bromo-5-methylphenyl)-2-oxoacetate

Drug info:

PubChemData

Smile

C1OC2=C(S1)C=C(C=C2)C(CC#N)N

DOS

IR

Vibrations