Geometry & MOs

Info

ID:	271756
PubChem CID:	103691002
Reduced:	BrFNO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-132.19
Dipole, Da:	4.96
IP(EA), eV:	-10.08(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)CNC(=O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations