Geometry & MOs

Info

ID:	15250
PubChem CID:	434663
Reduced:	CoBr2N2O2C22H26 (1)
Stoich.:	AB2C2D2E22F26 (1)
Weight, g/mol:	568.96725
ΔH_f, kcal/mol:	-23.03
Dipole, Da:	30.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.935345
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[N-[4-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethylideneamino]butyl]-C-methylcarbonimidoyl]-4-methylphenol;cobalt

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)O)C(=NCCCCN=C(C)C2=C(C(=CC(=C2)C)Br)O)C.[Co]

DOS

IR

Vibrations