Geometry & MOs

Info

ID:	389204
PubChem CID:	134991570
Reduced:	NB3C16H36 (1)
Stoich.:	AB3C16D36 (1)
Weight, g/mol:	659.325902
ΔH_f, kcal/mol:	367.3
Dipole, Da:	14.86
IP(EA), eV:	-3.16(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetic acid;cobalt;(6Z)-2,4-ditert-butyl-6-[[2-[[(Z)-(3,5-ditert-butyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]anilino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

[B-].[B][B].CCCC[N+](CCCC)(CCCC)CCCC

DOS

IR

Vibrations