Geometry & MOs

Info

ID:	151443
PubChem CID:	53801295
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-53.49
Dipole, Da:	2.1
IP(EA), eV:	-9.03(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dimethoxy-4,10-dimethyl-1H-acridine-9-carbothioic S-acid

Drug info:

PubChemData

Smile

CC1C(NC(CC1NC(=O)CC#N)(C)C)C

DOS

IR

Vibrations