Geometry & MOs

Info

ID:

233636

PubChem CID:

91146948

Reduced:

N2C11H22 (1)

Stoich.:

A2B11C22 (1)

Weight, g/mol:

469.97996

ΔHf, kcal/mol:

-9.02

Dipole, Da:

1.98

IP(EA), eV:

-8.24(0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

ethyl 4-(4-bromophenyl)-2-[(2,4-dichlorophenyl)diazenyl]-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CC.CC.CNC1=CC=CC=C1N

DOS

IR

Vibrations