Geometry & MOs

Info

ID:	287415
PubChem CID:	104241626
Reduced:	ClBr2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	368.00912
ΔH_f, kcal/mol:	65.25
Dipole, Da:	2.44
IP(EA), eV:	-9.91(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-2-(3-fluoro-5-methylphenyl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations