Geometry & MOs

Info

ID:	205646
PubChem CID:	80132187
Reduced:	BrF2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	359.89352
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	3.46
IP(EA), eV:	-10.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-bromo-2,6-difluorophenyl)-4-chlorothieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2=NC(=NN2)C3=C(C=C(C=C3F)Br)F

DOS

IR

Vibrations