Geometry & MOs

Info

ID:	349455
PubChem CID:	127275242
Reduced:	ClON5C20H24 (1)
Stoich.:	ABC5D20E24 (1)
Weight, g/mol:	394.156039
ΔH_f, kcal/mol:	1.63
Dipole, Da:	7.14
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCC(CC3)C4C5=C(C=C(C=C5)Cl)NC4=O)C1

DOS

IR

Vibrations