Geometry & MOs

Info

ID:	287412
PubChem CID:	104241618
Reduced:	BrClN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	370.08114
ΔH_f, kcal/mol:	55.99
Dipole, Da:	3.37
IP(EA), eV:	-9.88(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-6-cyclopentyl-2-(4-ethylcyclohexyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C2=NC(=C(C(=N2)Cl)Br)C3CCCC3

DOS

IR

Vibrations