Geometry & MOs

Info

ID:	412109
PubChem CID:	135084983
Reduced:	NO2C17H24 (2)
Stoich.:	AB2C17D24 (2)
Weight, g/mol:	507.32362
ΔH_f, kcal/mol:	-183.02
Dipole, Da:	3.43
IP(EA), eV:	-8.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-N-(4-pyrrolidin-1-ylquinolin-1-ium-2-yl)-2-N-(4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=O)OC1=C/C(=C/N[C@@H]2CCCC[C@H]2N/C=C\3/C=C(C=C(C3=O)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C

DOS

IR

Vibrations