Geometry & MOs

Info

ID:	209000
PubChem CID:	80611089
Reduced:	BrN3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	345.07019
ΔH_f, kcal/mol:	-6.49
Dipole, Da:	2.12
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)C2CCCCCCC2)NC)Br

DOS

IR

Vibrations