Geometry & MOs

Info

ID:	396918
PubChem CID:	135029445
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	327.100777
ΔH_f, kcal/mol:	-240.75
Dipole, Da:	2.19
IP(EA), eV:	-9.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-4-oxo-2,3-dihydro-1H-benzimidazolo[1,2-a]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1[C@@]2([C@H](CC(=O)N2[C@H](O1)C(C)(C)C)O)C(=O)OC

DOS

IR

Vibrations