Geometry & MOs

Info

ID:	261465
PubChem CID:	103235114
Reduced:	NO4H13C15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-80.51
Dipole, Da:	6.2
IP(EA), eV:	-9.21(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(tert-butylamino)ethoxy]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(O2)C(=O)O)CNCC3=CC=CO3

DOS

IR

Vibrations