Geometry & MOs

Info

ID:	439438
PubChem CID:	135229212
Reduced:	N2O2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	692.242356
ΔH_f, kcal/mol:	-55.52
Dipole, Da:	4.97
IP(EA), eV:	-9.06(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[9-[3-[(2R)-9-(4-carboxyphenyl)-3-methyl-2,3-dihydro-1,10-phenanthrolin-2-yl]cyclohexa-1,5-dien-1-yl]-1,10-phenanthrolin-2-yl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=N1)C2CC2)C)C

DOS

IR

Vibrations