Geometry & MOs

Info

ID:	269558
PubChem CID:	103617953
Reduced:	NF3O3C9H14 (1)
Stoich.:	AB3C3D9E14 (1)
Weight, g/mol:	342.96262
ΔH_f, kcal/mol:	-301.54
Dipole, Da:	3.67
IP(EA), eV:	-9.62(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4,6-dimethoxypyrimidin-2-yl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)COCC(F)(F)F)O

DOS

IR

Vibrations