Geometry & MOs

Info

ID:	261690
PubChem CID:	103245564
Reduced:	N3O4C13H17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	5.96
IP(EA), eV:	-9.05(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-methoxy-2-methylpropyl)amino]ethoxy]benzoic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations