Geometry & MOs

Info

ID:	185946
PubChem CID:	77373295
Reduced:	Cl2O6N7C22H33 (1)
Stoich.:	A2B6C7D22E33 (1)
Weight, g/mol:	581.252586
ΔH_f, kcal/mol:	-242.14
Dipole, Da:	5.33
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilinoacetic acid;2-(naphthalen-1-ylamino)propanoic acid;2-(naphthalen-2-ylamino)propanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O.O.Cl.Cl

DOS

IR

Vibrations