Geometry & MOs

Info

ID:	147913
PubChem CID:	53787573
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	286.31099
ΔH_f, kcal/mol:	-116.52
Dipole, Da:	4.33
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dodecyl-(4-hydroxybutyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCN1C(=C(NC1=O)CC2=CC=C(C=C2)C3OC=CO3)O

DOS

IR

Vibrations