Geometry & MOs

Info

ID:

410334

PubChem CID:

135083127

Reduced:

BrO2C9H10 (1)

Stoich.:

AB2C9D10 (1)

Weight, g/mol:

621.78536

ΔHf, kcal/mol:

-25.54

Dipole, Da:

4.27

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.963624

Charge, e:

0

Chem-info

IUPAC name:

(NE)-N-[1-(4-chlorobenzene-6-id-1-yl)ethylidene]hydroxylamine;chloropalladium(1+)

Drug info:

PubChemData

Smile

COC1=CC=C(C=CC1=[O+]C)Br

DOS

IR

Vibrations