Geometry & MOs

Info

ID:	128604
PubChem CID:	51051749
Reduced:	N2S3H14C16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	263.105862
ΔH_f, kcal/mol:	101.75
Dipole, Da:	3.76
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-yl)quinoline;hydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NSC(=N2)SCC3=CC=CC=C3

DOS

IR

Vibrations