Geometry & MOs

Info

ID:	337596
PubChem CID:	127258219
Reduced:	NO13C40H43 (1)
Stoich.:	AB13C40D43 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-423.43
Dipole, Da:	6.13
IP(EA), eV:	-8.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[acetyl(hydroxy)amino]benzoic acid

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC.C1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations