Geometry & MOs

Info

ID:	374385
PubChem CID:	131327818
Reduced:	BrNOC10H10 (1)
Stoich.:	ABCD10E10 (1)
Weight, g/mol:	250.980777
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	1.37
IP(EA), eV:	-8.84(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(cyanomethyl)-1-benzothiophene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2=C(C=CC(=C2)Br)N(C1=O)C

DOS

IR

Vibrations