Geometry & MOs

Info

ID:	29519
PubChem CID:	834684
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	3.33
IP(EA), eV:	-8.74(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2,3-dimethoxyphenyl)methylamino]methyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)NCC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations