Geometry & MOs

Info

ID:	35635
PubChem CID:	7980123
Reduced:	NO4H23C25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	401.162708
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	5.91
IP(EA), eV:	-8.5(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-oxocyclohexyl] (4Z)-4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

C1CCC(=O)[C@@H](C1)OC(=O)C2=C3CCC/C(=C/C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations