Geometry & MOs

Info

ID:	187867
PubChem CID:	77635694
Reduced:	ClNOC5H6 (2)
Stoich.:	ABCD5E6 (2)
Weight, g/mol:	512.16489
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	2.07
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chlorophenyl)ethoxy]-5-[6-(1-methylpiperidin-4-yl)oxy-6,7-dihydrobenzimidazol-1-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=C(C=C2Cl)C(CO)N.Cl

DOS

IR

Vibrations