Geometry & MOs

Info

ID:	261613
PubChem CID:	103242241
Reduced:	NO4C10H19 (1)
Stoich.:	AB4C10D19 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-185.17
Dipole, Da:	4.06
IP(EA), eV:	-9.72(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(oxan-3-ylmethylamino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

COCC(C(=O)O)NCC1CCCOC1

DOS

IR

Vibrations