Geometry & MOs

Info

ID:	133768
PubChem CID:	51587802
Reduced:	FON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	403.180839
ΔH_f, kcal/mol:	16.56
Dipole, Da:	3.66
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations