Geometry & MOs

Info

ID:	374834
PubChem CID:	131349405
Reduced:	NOF2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	246.016222
ΔH_f, kcal/mol:	-133.57
Dipole, Da:	2.52
IP(EA), eV:	-10.82(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-5-(hydroxymethyl)-1-benzothiophen-7-ol

Drug info:

PubChemData

Smile

C1CC(CC1C(C#N)(F)F)O

DOS

IR

Vibrations