Geometry & MOs

Info

ID:	179690
PubChem CID:	76519817
Reduced:	N3O6C32H49 (1)
Stoich.:	A3B6C32D49 (1)
Weight, g/mol:	458.303712
ΔH_f, kcal/mol:	-290.85
Dipole, Da:	2.49
IP(EA), eV:	-9.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-octadeca-9,12-dienoyloxy-4-(trimethylazaniumyl)butanoate;chloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1CC(C(CNCC(C(CC2=CC=CC=C2)N(C(=O)O)C(C)(C)C)O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations