Geometry & MOs

Info

ID:	68799
PubChem CID:	46509116
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	0.76
Dipole, Da:	3.78
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCC(C3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations