Geometry & MOs

Info

ID:	34132
PubChem CID:	7889983
Reduced:	ClNO2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	359.188529
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	3.58
IP(EA), eV:	-9.31(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propan-2-ylphenyl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42

DOS

IR

Vibrations