Geometry & MOs

Info

ID:	374326
PubChem CID:	131326833
Reduced:	NC5H5 (2)
Stoich.:	AB5C5 (2)
Weight, g/mol:	300.94083
ΔH_f, kcal/mol:	48.03
Dipole, Da:	2.14
IP(EA), eV:	-8.7(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(bromomethyl)-7-nitro-1-benzothiophen-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)CC(N2)C#N

DOS

IR

Vibrations