Geometry & MOs

Info

ID:	297765
PubChem CID:	117629607
Reduced:	N2O3H20C24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-12.36
Dipole, Da:	0.6
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-2-methylhexanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C2=CC(=CC=C2)C3=NC4=CC=CC=C4N3)C(=O)OC

DOS

IR

Vibrations