Geometry & MOs

Info

ID:	273569
PubChem CID:	103771393
Reduced:	NO2F3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	-224.74
Dipole, Da:	1.76
IP(EA), eV:	-10.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-hydroxy-4-methylpentyl)-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations