Geometry & MOs

Info

ID:	330298
PubChem CID:	127247285
Reduced:	ON6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	323.17461
ΔH_f, kcal/mol:	67.12
Dipole, Da:	6.15
IP(EA), eV:	-9.67(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CN=C(C=C3)N4C=CN=C4

DOS

IR

Vibrations