Geometry & MOs

Info

ID:	194505
PubChem CID:	78546579
Reduced:	ClF2N2O4H15C18 (1)
Stoich.:	AB2C2D4E15F18 (1)
Weight, g/mol:	412.308979
ΔH_f, kcal/mol:	-221.1
Dipole, Da:	2.26
IP(EA), eV:	-10.08(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(1-benzylpiperidin-1-ium-4-yl)-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]azanium

Drug info:

PubChemData

Smile

CCNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2Cl)F)F

DOS

IR

Vibrations