Geometry & MOs

Info

ID:	208914
PubChem CID:	80603388
Reduced:	NC19H39 (1)
Stoich.:	AB19C39 (1)
Weight, g/mol:	342.04984
ΔH_f, kcal/mol:	-76.63
Dipole, Da:	1.48
IP(EA), eV:	-8.71(3.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-chloro-2-cyclooctyl-6-cyclopropylpyrimidine

Drug info:

PubChemData

Smile

CCCCCCCCC(C1CCCCCCC1)NCC

DOS

IR

Vibrations