Geometry & MOs

Info

ID:	180371
PubChem CID:	76622946
Reduced:	SN2O6H28C29 (1)
Stoich.:	AB2C6D28E29 (1)
Weight, g/mol:	459.06139
ΔH_f, kcal/mol:	-170.47
Dipole, Da:	2.22
IP(EA), eV:	-9.05(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-cyclohexyl-2-(7H-quinolin-7-id-3-yl)benzimidazole-5-carboxylic acid;yttrium

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)C3=CC=CS3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)OC

DOS

IR

Vibrations