Geometry & MOs

Info

ID:	273622
PubChem CID:	103771500
Reduced:	NO2F3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	279.1293
ΔH_f, kcal/mol:	-224.38
Dipole, Da:	1.86
IP(EA), eV:	-10.17(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-2,3-dihydro-1-benzothiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=C(C(=C1)F)F)F)O

DOS

IR

Vibrations