Geometry & MOs

Info

ID:	374370
PubChem CID:	131327509
Reduced:	NCl2F2C9H9 (1)
Stoich.:	AB2C2D9E9 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	-105.9
Dipole, Da:	3.11
IP(EA), eV:	-9.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-3-methoxy-1-benzothiophene-6-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[C@@H](CC(F)F)N)Cl)Cl

DOS

IR

Vibrations