Geometry & MOs

Info

ID:	34119
PubChem CID:	7889901
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	409.108086
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	3.27
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@@H](C)OC(=O)C2=C3CCCCC3=NC4=CC=CC=C42)C

DOS

IR

Vibrations