Geometry & MOs

Info

ID:	435169
PubChem CID:	135182981
Reduced:	ON7H37C38 (1)
Stoich.:	AB7C37D38 (1)
Weight, g/mol:	206.08777
ΔH_f, kcal/mol:	130.01
Dipole, Da:	4.38
IP(EA), eV:	-8.17(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylsulfanylpropyl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1CCN(C1)CC2=CC(=C3C(=C2)N=C(O3)C4=CC=CC(=C4C)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CNC)C)C#N

DOS

IR

Vibrations