Geometry & MOs

Info

ID:	236945
PubChem CID:	92716347
Reduced:	ON5C31H43 (1)
Stoich.:	AB5C31D43 (1)
Weight, g/mol:	434.24819
ΔH_f, kcal/mol:	-16.03
Dipole, Da:	7.02
IP(EA), eV:	-8.32(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1CCCNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=C(C=CC(=C5)C)C

DOS

IR

Vibrations