Geometry & MOs

Info

ID:	222910
PubChem CID:	85333045
Reduced:	BrCl2N4O5C24H29 (1)
Stoich.:	AB2C4D5E24F29 (1)
Weight, g/mol:	613.592844
ΔH_f, kcal/mol:	-185.4
Dipole, Da:	4.33
IP(EA), eV:	-9.38(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl-methyl-octadec-9-enyl-octadecylazanium;chloride

Drug info:

PubChemData

Smile

CCCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC(=C(C(=C1)OCCC2=C(C=C(C=C2)Cl)Cl)Br)O

DOS

IR

Vibrations