Geometry & MOs

Info

ID:	27537
PubChem CID:	821869
Reduced:	O2N5H13C14 (1)
Stoich.:	A2B5C13D14 (1)
Weight, g/mol:	323.98196
ΔH_f, kcal/mol:	41.47
Dipole, Da:	7.93
IP(EA), eV:	-8.59(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-bromophenyl)-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=NN3C=CC=NC3=N2

DOS

IR

Vibrations