Geometry & MOs

Info

ID:	382540
PubChem CID:	134973763
Reduced:	N5O10H37C39 (1)
Stoich.:	A5B10C37D39 (1)
Weight, g/mol:	312.111007
ΔH_f, kcal/mol:	-257.2
Dipole, Da:	3.46
IP(EA), eV:	-8.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methoxy-9-(methoxymethyl)-1,10-phenanthroline-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=NC2=C1C=CC3=C2N=C(C=C3)CN(CC4=NC5=C(C=C4)C=CC6=C5N=C(C=C6OC)C(=O)OC)C(CCC(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations