Geometry & MOs

Info

ID:	84373
PubChem CID:	49866082
Reduced:	F2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	482.24819
ΔH_f, kcal/mol:	-83.8
Dipole, Da:	3.65
IP(EA), eV:	-9.03(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[4-[1-(4-fluorophenyl)benzimidazol-2-yl]butyl]piperidin-4-yl]-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)C(=O)C2=CN(N=C2)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations