Geometry & MOs

Info

ID:

166579

PubChem CID:

74711903

Reduced:

BrClNO2C18H22 (1)

Stoich.:

ABCD2E18F22 (1)

Weight, g/mol:

457.12526

ΔHf, kcal/mol:

-38.94

Dipole, Da:

9.22

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.070158

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-bromo-4-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

Drug info:

PubChemData

Smile

CCC(CO)[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations