Geometry & MOs

Info

ID:	448593
PubChem CID:	135292136
Reduced:	F3N4C28H29 (1)
Stoich.:	A3B4C28D29 (1)
Weight, g/mol:	428.293997
ΔH_f, kcal/mol:	13.52
Dipole, Da:	1.79
IP(EA), eV:	-8.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dicyclopropyl-1-[6-cyclopropyl-5-(6-ethenylpyridin-2-yl)-3-methylpyridin-2-yl]-1,4-diazocane

Drug info:

PubChemData

Smile

C=CC1=NC=CC(=C1)C2=C(N=C(C(=C2)C#C)N3CCN(C(C3)C4CC4)C(=C)CC(F)(F)F)C5CC5

DOS

IR

Vibrations