Geometry & MOs

Info

ID:	137830
PubChem CID:	52269087
Reduced:	OF2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	3.34
IP(EA), eV:	-9.23(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(4-acetamidophenyl)methyl-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=NC3=CC=CC=C3N=C2)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations