Geometry & MOs

Info

ID:	287421
PubChem CID:	104241880
Reduced:	ClOBr2N2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	286.123676
ΔH_f, kcal/mol:	32.23
Dipole, Da:	1.39
IP(EA), eV:	-9.45(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclopentyl-2-(3,4-dimethylphenyl)pyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)C2=C(C(=NC(=N2)C3=CC=C(O3)Br)Cl)Br

DOS

IR

Vibrations