Geometry & MOs

Info

ID:	287411
PubChem CID:	104241521
Reduced:	BrCl2N2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	351.01379
ΔH_f, kcal/mol:	41.49
Dipole, Da:	2.56
IP(EA), eV:	-9.54(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-2-(3-methylpyridin-2-yl)pyrimidine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations