Geometry & MOs

Info

ID:	164561
PubChem CID:	74416295
Reduced:	FON4C25H41 (1)
Stoich.:	ABC4D25E41 (1)
Weight, g/mol:	466.294391
ΔH_f, kcal/mol:	-45.42
Dipole, Da:	13.64
IP(EA), eV:	-7.58(0.15)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(4-methoxycarbonylphenyl)methyl-[2-[5-oxo-1-(2-piperidin-1-ium-1-yl-2-pyridin-3-ylethyl)pyrrolidin-2-yl]ethyl]azanium

Drug info:

PubChemData

Smile

CCC[NH+]1CCC(CC1)CC(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations