Geometry & MOs

Info

ID:	174460
PubChem CID:	75765771
Reduced:	ClON5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	428.106321
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	7.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754819
Charge, e:	1

Chem-info

IUPAC name:

N-[[5-chloro-2-[(2,6-dichlorophenyl)methoxy]phenyl]methyl]-3-imidazolidin-1-ium-1-ylpropan-1-amine

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC(CNC2=CC(=NC(=N2)N)Cl)O

DOS

IR

Vibrations