Geometry & MOs

Info

ID:	312367
PubChem CID:	126604461
Reduced:	ClON5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	390.07316
ΔH_f, kcal/mol:	38.88
Dipole, Da:	5.09
IP(EA), eV:	-8.92(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-1,2,3,4,4a,5-hexahydronaphthalen-1-yl)-1,10-phenanthroline

Drug info:

PubChemData

Smile

CCCCCC1=C(N=C2N1C=CC(=C2)Cl)CN3C4=C(C=CN=C4)N(C3=O)C5CC5

DOS

IR

Vibrations