Geometry & MOs

Info

ID:	218681
PubChem CID:	85089801
Reduced:	BrOF6N6H13C16 (1)
Stoich.:	ABC6D6E13F16 (1)
Weight, g/mol:	497.13867
ΔH_f, kcal/mol:	-238.93
Dipole, Da:	5.4
IP(EA), eV:	-9.42(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(hydroxymethyl)-4-[2-(1-methylpiperidin-1-ium-1-yl)ethoxy]oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione;iodide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)C2NNNN2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations