Geometry & MOs

Info

ID:	259725
PubChem CID:	103173116
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	310.96156
ΔH_f, kcal/mol:	-20.84
Dipole, Da:	5.74
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-bromopyridin-2-yl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=NN(C=C2)C)C(=O)OC

DOS

IR

Vibrations