Geometry & MOs

Info

ID:	260105
PubChem CID:	103181417
Reduced:	FNO6C13H16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	301.225308
ΔH_f, kcal/mol:	-195.39
Dipole, Da:	5.94
IP(EA), eV:	-10.0(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypropoxy)ethylamino]-2,2,3-trimethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCCCOCCOC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])F

DOS

IR

Vibrations