Geometry & MOs

Info

ID:	375108
PubChem CID:	131466026
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	295.92551
ΔH_f, kcal/mol:	-38.86
Dipole, Da:	2.24
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-7-nitro-1-benzothiophene-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=NO1)CNC(=O)C(N2)C(C)C

DOS

IR

Vibrations