Geometry & MOs

Info

ID:	372850
PubChem CID:	131305988
Reduced:	ClNF2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-94.96
Dipole, Da:	2.09
IP(EA), eV:	-9.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(hydroxymethyl)-7-methoxy-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

C1CCC(C1)[C@H](C2=C(C=CC(=C2Cl)F)F)N

DOS

IR

Vibrations