Geometry & MOs

Info

ID:	231114
PubChem CID:	87572680
Reduced:	N2O3C23H36 (1)
Stoich.:	A2B3C23D36 (1)
Weight, g/mol:	323.176143
ΔH_f, kcal/mol:	-131.62
Dipole, Da:	2.44
IP(EA), eV:	-9.26(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4,5,6-pentadeuteriophenyl)-10-(trideuteriomethyl)-9H-acridine-9-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]12CC/C(=N\O[C@@H]3CCNC3)/[C@H](C1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5=O)C)O

DOS

IR

Vibrations