Geometry & MOs

Info

ID:	51174
PubChem CID:	12013808
Reduced:	BrO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	761.257822
ΔH_f, kcal/mol:	-33.85
Dipole, Da:	4.02
IP(EA), eV:	-9.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cobalt;(3Z)-1-(2-methylnaphthalen-1-yl)-3-[[[(1R,2R)-2-[[(E)-[4-(2-methylnaphthalen-1-yl)-3-oxonaphthalen-2-ylidene]methyl]amino]cyclohexyl]amino]methylidene]naphthalen-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]2[C@H]([C@@H]2C(=O)O1)C3=CC=C(C=C3)Br

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1[C@@H]2[C@H]([C@@H]2C(=O)O1)C3=CC=C(C=C3)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):