Geometry & MOs

Info

ID:	439482
PubChem CID:	135229256
Reduced:	N2O5C27H44 (1)
Stoich.:	A2B5C27D44 (1)
Weight, g/mol:	628.237545
ΔH_f, kcal/mol:	-233.36
Dipole, Da:	3.17
IP(EA), eV:	-9.18(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,10-phenanthrolin-2-yl)-5-[6-[3-[(Z)-prop-1-enyl]pyridin-2-yl]pyridin-2-yl]phenyl]-1,10-phenanthroline

Drug info:

PubChemData

Smile

CCCC(C(CC)COC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)OCC(CC)C(CCC)N)N

DOS

IR

Vibrations