Geometry & MOs

Info

ID:	230894
PubChem CID:	87572216
Reduced:	O4C9H16 (1)
Stoich.:	A4B9C16 (1)
Weight, g/mol:	320.157313
ΔH_f, kcal/mol:	-185.2
Dipole, Da:	2.35
IP(EA), eV:	-10.25(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCC=C)(O)O

DOS

IR

Vibrations