Geometry & MOs

Info

ID:	202759
PubChem CID:	79721672
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	298.94158
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)-1-(5-fluoropyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)O)C(=O)C1=C(C=C(C=C1)Br)N

DOS

IR

Vibrations