Geometry & MOs

Info

ID:	68835
PubChem CID:	46509190
Reduced:	BrON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	379.115462
ΔH_f, kcal/mol:	37.61
Dipole, Da:	4.85
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-fluoro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)/C=C/C2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations