Geometry & MOs

Info

ID:	68794
PubChem CID:	46509101
Reduced:	ClON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	24.83
Dipole, Da:	1.68
IP(EA), eV:	-9.01(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations