Geometry & MOs

Info

ID:	53771
PubChem CID:	14717898
Reduced:	ClO2N3C28H56 (1)
Stoich.:	AB2C3D28E56 (1)
Weight, g/mol:	466.437253
ΔH_f, kcal/mol:	-138.78
Dipole, Da:	35.02
IP(EA), eV:	-5.78(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[3-(octadecanoylamino)propyl]-[(2-oxopyrrolidin-1-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CN1CCCC1=O.[Cl-]

DOS

IR

Vibrations