Geometry & MOs

Info

ID:	412489
PubChem CID:	135085384
Reduced:	CoN2O2C36H54 (1)
Stoich.:	AB2C2D36E54 (1)
Weight, g/mol:	436.098071
ΔH_f, kcal/mol:	-134.64
Dipole, Da:	53.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.182171
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C(=CC(=C3)C(C)(C)C)C(C)(C)C)/C(=O)C(=C1)C(C)(C)C)(C)C.[Co]

DOS

IR

Vibrations