Geometry & MOs

Info

ID:	214616
PubChem CID:	85083282
Reduced:	MgO2N4C34H38 (1)
Stoich.:	AB2C4D34E38 (1)
Weight, g/mol:	561.239072
ΔH_f, kcal/mol:	-20.44
Dipole, Da:	3.18
IP(EA), eV:	-7.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=C2C=C3C(=C4CCC(=C4[N-]3)C5=NC(=CC6=NC(=CC(=C1C)[N-]2)C(=C6C)CC)C(C5CCC(=O)OC)C)C.[Mg+2]

DOS

IR

Vibrations