Geometry & MOs

Info

ID:

58990

PubChem CID:

24770178

Reduced:

N2C9H17 (1)

Stoich.:

A2B9C17 (1)

Weight, g/mol:

666.010457

ΔHf, kcal/mol:

18.23

Dipole, Da:

0.61

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.788812

Charge, e:

0

Chem-info

IUPAC name:

chlorocobalt(1+);ethanol;(6E)-2-[(E)-hydroxyiminomethyl]-4-methyl-6-[(oxidoamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC[C@H](C)CN1C=C[N+](=C1)C

DOS

IR

Vibrations