Geometry & MOs

Info

ID:	165099
PubChem CID:	74500480
Reduced:	ClFO2N5C26H31 (1)
Stoich.:	ABC2D5E26F31 (1)
Weight, g/mol:	340.308979
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	5.48
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

cyclopentylmethyl-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-(oxolan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)F)C3CCN(CC3)CC4CNNC4C5=CC=C(C=C5)Cl

DOS

IR

Vibrations