Geometry & MOs

Info

ID:	34118
PubChem CID:	7889897
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-78.67
Dipole, Da:	3.98
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=C4CCCCC4=NC5=CC=CC=C53

DOS

IR

Vibrations