Geometry & MOs

Info

ID:	263876
PubChem CID:	103404136
Reduced:	BrNO3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	323.018306
ΔH_f, kcal/mol:	-92.3
Dipole, Da:	4.28
IP(EA), eV:	-9.51(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-4-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCOC1=C(C=NC=C1)Br

DOS

IR

Vibrations