Geometry & MOs

Info

ID:	261652
PubChem CID:	103243740
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	331.04192
ΔH_f, kcal/mol:	-57.77
Dipole, Da:	4.69
IP(EA), eV:	-9.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[[2-(2-methoxyethoxy)ethylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CNCC2=CC=C(C=C2)C(C)C(=O)O

DOS

IR

Vibrations