Geometry & MOs

Info

ID:	68802
PubChem CID:	46509120
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	-9.18
Dipole, Da:	4.67
IP(EA), eV:	-9.1(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-4-(4-fluorophenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations