Geometry & MOs

Info

ID:	138491
PubChem CID:	52373063
Reduced:	N4O5C16H18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	351.174691
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	4.23
IP(EA), eV:	-9.8(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@H]2CCCN(C2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations