Geometry & MOs

Info

ID:	340815
PubChem CID:	127263250
Reduced:	NF3O4H8C10 (1)
Stoich.:	AB3C4D8E10 (1)
Weight, g/mol:	782.21168
ΔH_f, kcal/mol:	-283.98
Dipole, Da:	4.57
IP(EA), eV:	-11.16(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-pyridin-1-ium-1-yloctyl 4-[4-(8-pyridin-1-ium-1-yloctoxycarbonyl)phenyl]benzoate;dibromide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(N=C1)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations