Geometry & MOs

Info

ID:	439455
PubChem CID:	135229229
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	744.276823
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	4.36
IP(EA), eV:	-9.43(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-5-[9-[(2E,4Z)-6-(1,10-phenanthrolin-2-yl)hepta-2,4,6-trien-2-yl]-7,8-dihydro-1,10-phenanthrolin-2-yl]phenyl]-N-(7-methylquinolin-8-yl)ethanimine

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)C(=C)COC=O

DOS

IR

Vibrations