Geometry & MOs

Info

ID:	371665
PubChem CID:	131270234
Reduced:	O2N5C8H9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	278.93535
ΔH_f, kcal/mol:	-1.18
Dipole, Da:	4.27
IP(EA), eV:	-9.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-4-formyl-1-benzothiophene-7-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N=CN=C(N2N=C1)N

DOS

IR

Vibrations