Geometry & MOs

Info

ID:	68789
PubChem CID:	46509091
Reduced:	ON4C18H18 (1)
Stoich.:	AB4C18D18 (1)
Weight, g/mol:	451.189592
ΔH_f, kcal/mol:	33.26
Dipole, Da:	2.02
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations