Geometry & MOs

Info

ID:	179691
PubChem CID:	76519844
Reduced:	ClNO4C25H45 (1)
Stoich.:	ABC4D25E45 (1)
Weight, g/mol:	294.147211
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	7.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.753018
Charge, e:	-1

Chem-info

IUPAC name:

3-hexanoyloxy-4-(trimethylazaniumyl)butanoate;chloride

Drug info:

PubChemData

Smile

CCCCCC=CCC=CCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C.[Cl-]

DOS

IR

Vibrations