Geometry & MOs

Info

ID:	372784
PubChem CID:	131304701
Reduced:	BrClNOH9C11 (1)
Stoich.:	ABCDE9F11 (1)
Weight, g/mol:	237.009579
ΔH_f, kcal/mol:	-7.97
Dipole, Da:	2.81
IP(EA), eV:	-9.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methoxy-3-nitro-1-benzothiophene-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(=O)C(C1=C(C=CC=C1Cl)CC#N)Br

DOS

IR

Vibrations