Geometry & MOs

Info

ID:	412111
PubChem CID:	135084985
Reduced:	N4H31C34 (1)
Stoich.:	A4B31C34 (1)
Weight, g/mol:	494.247047
ΔH_f, kcal/mol:	118.59
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.323690
Charge, e:	0

Chem-info

IUPAC name:

2-N-(6-anthracen-9-ylpyridin-2-yl)-1-N-quinolin-2-ylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

C1CCC(C(C1)NC2=[NH+]C3=CC=CC=C3C=C2)NC4=CC=CC(=N4)C5=C6C=CC=CC6=CC7=CC=CC=C75

DOS

IR

Vibrations