Geometry & MOs

Info

ID:	167317
PubChem CID:	74809421
Reduced:	FON5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	449.349166
ΔH_f, kcal/mol:	32.08
Dipole, Da:	5.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996204
Charge, e:	3

Chem-info

IUPAC name:

2-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl-(3-morpholin-4-ium-4-ylpropanoyl)amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(CCN1C=CC=N1)[NH2+]CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

DOS

IR

Vibrations