Geometry & MOs

Info

ID:	71991
PubChem CID:	48415693
Reduced:	ClFON3H17C18 (1)
Stoich.:	ABCD3E17F18 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	4.29
IP(EA), eV:	-8.87(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations