Geometry & MOs

Info

ID:	372578
PubChem CID:	131300102
Reduced:	ClO2N3H8C9 (1)
Stoich.:	AB2C3D8E9 (1)
Weight, g/mol:	283.95066
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	2.38
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-6-ethoxy-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(=NC=CN2C=N1)Cl

DOS

IR

Vibrations