Geometry & MOs

Info

ID:	374877
PubChem CID:	131349618
Reduced:	ClN4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	291.9369
ΔH_f, kcal/mol:	69.04
Dipole, Da:	4.21
IP(EA), eV:	-8.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-5-(difluoromethyl)-1-benzothiophen-2-ol

Drug info:

PubChemData

Smile

C1=CN2C(=C(N=C2CCC#N)Cl)C=C1N

DOS

IR

Vibrations