Geometry & MOs

Info

ID:	374132
PubChem CID:	131324114
Reduced:	NO3C6H9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	244.036957
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	5.42
IP(EA), eV:	-10.98(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-3-ethoxy-1-benzothiophen-5-ol

Drug info:

PubChemData

Smile

C1CC(C(=C[N+](=O)[O-])C1)O

DOS

IR

Vibrations