Geometry & MOs

Info

ID:	340828
PubChem CID:	127263263
Reduced:	BrNO4C21H34 (1)
Stoich.:	ABC4D21E34 (1)
Weight, g/mol:	1006.46208
ΔH_f, kcal/mol:	-125.17
Dipole, Da:	84.1
IP(EA), eV:	-5.02(-4.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-pyridin-1-ium-1-ylhexadecyl 4-[4-(16-pyridin-1-ium-1-ylhexadecoxycarbonyl)phenyl]benzoate;dibromide

Drug info:

PubChemData

Smile

COC(=O)CCC(=O)OCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]

DOS

IR

Vibrations