Geometry & MOs

Info

ID:	287414
PubChem CID:	104241625
Reduced:	BrClFN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	416.9066
ΔH_f, kcal/mol:	22.75
Dipole, Da:	0.59
IP(EA), eV:	-9.88(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(5-bromopyridin-3-yl)-4-chloro-6-cyclopentylpyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=NC(=N2)C3=NC=C(C=C3)F)Cl)Br

DOS

IR

Vibrations