Geometry & MOs

Info

ID:	4746
PubChem CID:	11963
Reduced:	ClN2O2C14H23 (1)
Stoich.:	AB2C2D14E23 (1)
Weight, g/mol:	286.144806
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	9.9
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminobenzoyl)oxyethyl-pentylazanium;chloride

Drug info:

PubChemData

Smile

CCCCC[NH2+]CCOC(=O)C1=CC=C(C=C1)N.[Cl-]

DOS

IR

Vibrations