Geometry & MOs

Info

ID:

193828

PubChem CID:

78443176

Reduced:

ClON2C20H24 (1)

Stoich.:

ABC2D20E24 (1)

Weight, g/mol:

382.0052

ΔHf, kcal/mol:

0.29

Dipole, Da:

7.84

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779530

Charge, e:

 -2

Chem-info

IUPAC name:

3-[(7-bromo-4-methoxy-3-oxo-1,2-dihydroinden-1-yl)methyl]pentanedioate

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C([NH+]1C)CC(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations