Geometry & MOs

Info

ID:	8957
PubChem CID:	84024
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-47.76
Dipole, Da:	3.2
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-benzimidazol-2-yl)-2-[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1CC(=O)C2=NC3=CC=CC=C3N2)OCCCOC

DOS

IR

Vibrations