Geometry & MOs

Info

ID:	373414
PubChem CID:	131314859
Reduced:	BrON3C9H14 (1)
Stoich.:	ABC3D9E14 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	6.63
IP(EA), eV:	-9.01(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-4-nitro-1-benzothiophene-3-carbaldehyde

Drug info:

PubChemData

Smile

CN1C(=C(C(=O)N1)Br)C2CCCCN2

DOS

IR

Vibrations