Geometry & MOs

Info

ID:

188066

PubChem CID:

77663510

Reduced:

O4N5C20H22 (1)

Stoich.:

A4B5C20D22 (1)

Weight, g/mol:

295.120843

ΔHf, kcal/mol:

-45.3

Dipole, Da:

4.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.166032

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 7-methyl-9-oxo-9aH-acridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)O[N+]1=C2C(=NC=C1C3=CC=CC=C3)C=CC(=N2)NC(=O)NC

DOS

IR

Vibrations