Geometry & MOs

Info

ID:	164483
PubChem CID:	74404422
Reduced:	O3N4C37H40 (1)
Stoich.:	A3B4C37D40 (1)
Weight, g/mol:	513.256232
ΔH_f, kcal/mol:	-36.15
Dipole, Da:	5.11
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dibenzylamino)propyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=O)OCC(CC4=CC=CC=C4)N(CC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations