Geometry & MOs

Info

ID:	340422
PubChem CID:	127262433
Reduced:	NCl2C21H37 (1)
Stoich.:	AB2C21D37 (1)
Weight, g/mol:	680.407038
ΔH_f, kcal/mol:	-75.81
Dipole, Da:	3.12
IP(EA), eV:	-8.94(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carboxyphenyl)methyl-dimethyl-octylazanium;sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(CCCl)CC1=CC=CC=C1.Cl

DOS

IR

Vibrations