Geometry & MOs

Info

ID:	420354
PubChem CID:	135112672
Reduced:	ON2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	373.170274
ΔH_f, kcal/mol:	3.47
Dipole, Da:	4.91
IP(EA), eV:	-8.77(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CN5CCOC6=CC=CC=C6C5

DOS

IR

Vibrations