Geometry & MOs

Info

ID:	411861
PubChem CID:	135084706
Reduced:	ClIN3O3C28H33 (1)
Stoich.:	ABC3D3E28F33 (1)
Weight, g/mol:	369.207922
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	11.42
IP(EA), eV:	-7.95(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-N-quinolin-1-ium-2-yl-2-N-quinolin-2-ylcyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=O)O[C@H](C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC.C[N+]1=CC=CC=C1Cl.[I-]

DOS

IR

Vibrations