Geometry & MOs

Info

ID:	71944
PubChem CID:	48415644
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	411.143905
ΔH_f, kcal/mol:	18.67
Dipole, Da:	5.2
IP(EA), eV:	-9.09(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(1,3-dithian-2-yl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=CN=CC=C3

DOS

IR

Vibrations