Geometry & MOs

Info

ID:	330276
PubChem CID:	127247263
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-9.66
Dipole, Da:	6.37
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations