Geometry & MOs

Info

ID:	72353
PubChem CID:	48416078
Reduced:	ON2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	13.72
Dipole, Da:	7.38
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)COC3=CC=CC(=C3)C#N

DOS

IR

Vibrations